Geometry & MOs

Info

ID:	39752
PubChem CID:	8142152
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-107.1
Dipole, Da:	4.88
IP(EA), eV:	-8.61(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-cyanophenoxy)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C

DOS

IR

Vibrations