Geometry & MOs

Info

ID:	72407
PubChem CID:	48416142
Reduced:	N2O2C10H11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	416.158351
ΔH_f, kcal/mol:	-74.68
Dipole, Da:	4.35
IP(EA), eV:	-8.65(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC3=NNN=C3C=C2)C(=O)OC

DOS

IR

Vibrations