Geometry & MOs

Info

ID:	223944
PubChem CID:	85336198
Reduced:	N3O9C14H25 (1)
Stoich.:	A3B9C14D25 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-427.39
Dipole, Da:	6.29
IP(EA), eV:	-9.98(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-4-phenylbutanoyl)-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC(C(C(O1)C(C(CNC(=O)N)O)O)NC(=O)C)O)O

DOS

IR

Vibrations