Geometry & MOs

Info

ID:	238305
PubChem CID:	92729966
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-148.63
Dipole, Da:	3.52
IP(EA), eV:	-9.09(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-benzamidobenzoyl)-N-butylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C

DOS

IR

Vibrations