Geometry & MOs

Info

ID:	72503
PubChem CID:	48416245
Reduced:	NO3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	386.147786
ΔH_f, kcal/mol:	-139.24
Dipole, Da:	5.73
IP(EA), eV:	-8.61(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations