Geometry & MOs

Info

ID:	238300
PubChem CID:	92729957
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-106.2
Dipole, Da:	7.02
IP(EA), eV:	-8.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H]1CCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

DOS

IR

Vibrations