Geometry & MOs

Info

ID:	72538
PubChem CID:	48416282
Reduced:	N2O7C21H24 (1)
Stoich.:	A2B7C21D24 (1)
Weight, g/mol:	390.215472
ΔH_f, kcal/mol:	-179.46
Dipole, Da:	4.46
IP(EA), eV:	-8.81(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)COC2=CC=CC(=C2)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations