Geometry & MOs

Info

ID:	19418
PubChem CID:	563194
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	373.155705
ΔH_f, kcal/mol:	-36.57
Dipole, Da:	2.51
IP(EA), eV:	-8.73(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations