Geometry & MOs

Info

ID:	424135
PubChem CID:	135121456
Reduced:	N3H11C16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	251.105862
ΔH_f, kcal/mol:	139.91
Dipole, Da:	14.47
IP(EA), eV:	-8.31(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-ethylphenyl)-4H-pyran-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC(=CC=C(C#N)C#N)C=C2

DOS

IR

Vibrations