Geometry & MOs

Info

ID:	151065
PubChem CID:	53790762
Reduced:	ClNOC3H6 (1)
Stoich.:	ABCD3E6 (1)
Weight, g/mol:	415.153206
ΔH_f, kcal/mol:	-18.54
Dipole, Da:	3.33
IP(EA), eV:	-9.89(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-cyano-2-methyl-4-(3-nitrophenyl)-6-(2-phenylethenyl)-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C=O)NCl

DOS

IR

Vibrations