Geometry & MOs

Info

ID:	22967
PubChem CID:	600368
Reduced:	ClO2N3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	401.187005
ΔH_f, kcal/mol:	-44.29
Dipole, Da:	6.17
IP(EA), eV:	-7.9(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N(CCN1CCN(CC1)C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations