Geometry & MOs

Info

ID:	378156
PubChem CID:	134224230
Reduced:	ClO3N7C25H26 (1)
Stoich.:	AB3C7D25E26 (1)
Weight, g/mol:	219.137162
ΔH_f, kcal/mol:	-29.68
Dipole, Da:	7.36
IP(EA), eV:	-8.06(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-aminophenyl)-1-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC=C(C=C3)NC(=O)[C@@H]4CCCN4

DOS

IR

Vibrations