Geometry & MOs

Info

ID:	37171
PubChem CID:	8017867
Reduced:	N2O4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	330.121572
ΔH_f, kcal/mol:	-81.86
Dipole, Da:	5.34
IP(EA), eV:	-8.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-3-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3

DOS

IR

Vibrations