Geometry & MOs

Info

ID:	85470
PubChem CID:	49875508
Reduced:	OSN3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	37.23
Dipole, Da:	7.25
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-benzyl-5-(benzylcarbamoyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC2=C1C(=C(S2)N)C#N)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations