Geometry & MOs

Info

ID:	441580
PubChem CID:	135236473
Reduced:	O3N5H23C24 (1)
Stoich.:	A3B5C23D24 (1)
Weight, g/mol:	275.090606
ΔH_f, kcal/mol:	-21.47
Dipole, Da:	5.94
IP(EA), eV:	-8.44(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetamido-2-(2-cyanoethenylamino)-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=CC(=C(C=C43)NC(=O)C)OC)C

DOS

IR

Vibrations