Geometry & MOs

Info

ID:	238038
PubChem CID:	92728908
Reduced:	N3O3C24H35 (1)
Stoich.:	A3B3C24D35 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-156.31
Dipole, Da:	5.37
IP(EA), eV:	-9.13(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations