Geometry & MOs

Info

ID:	72508
PubChem CID:	48416251
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	415.199488
ΔH_f, kcal/mol:	-90.0
Dipole, Da:	6.85
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)NCC(CC3=CC=C(C=C3)OCC)C(=O)OC)N=N1

DOS

IR

Vibrations