Geometry & MOs

Info

ID:	126458
PubChem CID:	50965614
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-121.75
Dipole, Da:	2.65
IP(EA), eV:	-8.68(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-(3-ethylanilino)-4-oxobutanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CC(=O)N2CCN(CC2)CCCOC

DOS

IR

Vibrations