Geometry & MOs

Info

ID:	79453
PubChem CID:	49754910
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	478.22162
ΔH_f, kcal/mol:	-62.02
Dipole, Da:	3.55
IP(EA), eV:	-9.13(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-[[[2-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-2-oxoacetyl]amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2(CC2)C#N)C(=O)OC3=CC=CC=C3

DOS

IR

Vibrations