Geometry & MOs

Info

ID:	72412
PubChem CID:	48416148
Reduced:	NO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	400.163436
ΔH_f, kcal/mol:	-145.59
Dipole, Da:	4.26
IP(EA), eV:	-8.63(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC=CC(=C2)C)C(=O)OC

DOS

IR

Vibrations