Geometry & MOs

Info

ID:	89444
PubChem CID:	49961801
Reduced:	N3O4C16H17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	305.116427
ΔH_f, kcal/mol:	-90.27
Dipole, Da:	5.06
IP(EA), eV:	-8.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-cyano-2-methyl-4-naphthalen-1-yl-4H-pyran-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OC)OC)C(=O)N

DOS

IR

Vibrations