Geometry & MOs

Info

ID:	342467
PubChem CID:	127265622
Reduced:	ClO2N3H8C12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	69.7
Dipole, Da:	5.36
IP(EA), eV:	-10.22(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C=CC2=NC=NC=C2)[N+](=O)[O-]

DOS

IR

Vibrations