Geometry & MOs

Info

ID:	424125
PubChem CID:	135121429
Reduced:	ON3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	213.053826
ΔH_f, kcal/mol:	30.77
Dipole, Da:	3.61
IP(EA), eV:	-8.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)/N=C/CCCC=O

DOS

IR

Vibrations