Geometry & MOs

Info

ID:	238289
PubChem CID:	92729946
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-101.89
Dipole, Da:	6.44
IP(EA), eV:	-9.29(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-acetamidobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C(=O)N2CCC[C@@H]2C(=O)NC3CC3

DOS

IR

Vibrations