Geometry & MOs

Info

ID:

309172

PubChem CID:

126539461

Reduced:

SN4H55C58 (1)

Stoich.:

AB4C55D58 (1)

Weight, g/mol:

391.262363

ΔHf, kcal/mol:

214.11

Dipole, Da:

3.96

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.395864

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CC(C)C)C2=CC=C(C=C2)C(=C3C(=C(C(=[N+](C4=CC=CC=C4)C5=CC=CC=C5)S3)C#N)C6=CC=CC=C6)C7=CC=C(C=C7)N(CC(C)C)C8=CC=CC=C8C

DOS

IR

Vibrations