Geometry & MOs

Info

ID:	391836
PubChem CID:	135010117
Reduced:	NO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	334.10659
ΔH_f, kcal/mol:	-68.0
Dipole, Da:	5.07
IP(EA), eV:	-8.4(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-(2,2-dicyanoethenyl)-6-oxo-3-phenylpyridazin-1-yl]propanoate

Drug info:

PubChemData

Smile

CCCCCCN(C1=CC=C(C=C1)C(=O)OC)[C@@H](C)C2=CC=CC=C2

DOS

IR

Vibrations