Geometry & MOs

Info

ID:	238301
PubChem CID:	92729958
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-142.57
Dipole, Da:	3.32
IP(EA), eV:	-9.14(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-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)C(C)C

DOS

IR

Vibrations