Geometry & MOs

Info

ID:	72502
PubChem CID:	48416244
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	386.147786
ΔH_f, kcal/mol:	-171.76
Dipole, Da:	3.46
IP(EA), eV:	-8.74(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(2-nitrobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C)C(=O)OC

DOS

IR

Vibrations