Geometry & MOs

Info

ID:	238039
PubChem CID:	92728909
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-151.92
Dipole, Da:	7.6
IP(EA), eV:	-9.19(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cycloheptyl-1-[4-(propanoylamino)benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C(=O)N2CCC[C@H](C2)C(=O)NC3CCCCCC3

DOS

IR

Vibrations