Geometry & MOs

Info

ID:	238041
PubChem CID:	92728914
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-147.78
Dipole, Da:	5.61
IP(EA), eV:	-9.18(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-(butanoylamino)benzoyl]-N-cyclopentylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations