Geometry & MOs

Info

ID:

170295

PubChem CID:

75214677

Reduced:

O3C50H70 (2)

Stoich.:

A3B50C70 (2)

Weight, g/mol:

435.215806

ΔHf, kcal/mol:

-201.18

Dipole, Da:

7.15

IP(EA), eV:

 -7.94(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-1-cyclopentyl-3,6-dioxo-5-(phenylmethoxymethyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C.CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O.CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C

DOS

IR

Vibrations