Geometry & MOs

Info

ID:	357940
PubChem CID:	127295440
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	392.315127
ΔH_f, kcal/mol:	-94.8
Dipole, Da:	3.44
IP(EA), eV:	-8.63(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations