Geometry & MOs

Info

ID:

190412

PubChem CID:

78001024

Reduced:

N3O3C40H51 (1)

Stoich.:

A3B3C40D51 (1)

Weight, g/mol:

591.346092

ΔHf, kcal/mol:

-107.96

Dipole, Da:

3.14

IP(EA), eV:

 -8.96(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-3-methyl-N-[4-methyl-4-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]cyclohexen-1-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCC2(CCC3(CC2C3)C(=O)NC(C4=CC=CC=C4)C(=O)NCC(C)C)C)C5=CC=C(C=C5)C(C)(C)C

DOS

IR

Vibrations