Geometry & MOs

Info

ID:	149110
PubChem CID:	53788782
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	382.142976
ΔH_f, kcal/mol:	56.53
Dipole, Da:	2.05
IP(EA), eV:	-7.53(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-2,6-dimethyl-4-(6-phenyl-1,8-naphthyridin-4-yl)-3,4-dihydropyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

CNCC=NC1=CC2=C(C3=C(C=C(C=C3)NC#CNC)C(=C2C=C1)O)O

DOS

IR

Vibrations