Geometry & MOs

Info

ID:	152041
PubChem CID:	56310892
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	414.263091
ΔH_f, kcal/mol:	-126.25
Dipole, Da:	4.69
IP(EA), eV:	-8.72(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylcarbamoyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations