Geometry & MOs

Info

ID:

214648

PubChem CID:

85083338

Reduced:

N3O5C33H47 (1)

Stoich.:

A3B5C33D47 (1)

Weight, g/mol:

565.214362

ΔHf, kcal/mol:

-208.13

Dipole, Da:

5.32

IP(EA), eV:

 -9.23(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-2-phenylmethoxypiperazin-1-yl]-3-oxoprop-1-enyl]-4-methoxyphenyl]acetamide

Drug info:

PubChemData

Smile

CC1C(OC(=O)CNC(=O)C(N(C(=O)C(NC(=O)CC1=C)C)C)CCC2=CC=CC=C2)C(=CC(=CC(C)(C)C)C)C

DOS

IR

Vibrations