Geometry & MOs

Info

ID:	367102
PubChem CID:	127323155
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	391.319878
ΔH_f, kcal/mol:	-100.3
Dipole, Da:	5.84
IP(EA), eV:	-8.73(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-propan-2-ylazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C3CCC3)OC

DOS

IR

Vibrations