Geometry & MOs

Info

ID:	153255
PubChem CID:	56312424
Reduced:	BrO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-57.94
Dipole, Da:	3.58
IP(EA), eV:	-8.81(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylcyclohexyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C)Br

DOS

IR

Vibrations