Geometry & MOs

Info

ID:	342062
PubChem CID:	127264775
Reduced:	ON2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	237.090212
ΔH_f, kcal/mol:	66.23
Dipole, Da:	5.47
IP(EA), eV:	-8.85(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-(2-pyrimidin-4-ylethenyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=NC(=NO1)COC2=CC=C(C=C2)C=CC3=NC=NC=C3

DOS

IR

Vibrations