Geometry & MOs

Info

ID:	342469
PubChem CID:	127265624
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	207.079647
ΔH_f, kcal/mol:	32.47
Dipole, Da:	4.99
IP(EA), eV:	-8.74(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-pyrimidin-4-ylethenyl)benzonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=CC2=NC=NC=C2

DOS

IR

Vibrations