Geometry & MOs

Info

ID:	238239
PubChem CID:	92729825
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-116.84
Dipole, Da:	7.66
IP(EA), eV:	-9.22(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-methylbutyl)-1-[4-(2-methylpropanoylamino)benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCC[C@@H]3C(=O)NCCC(C)C

DOS

IR

Vibrations