Geometry & MOs

Info

ID:	342682
PubChem CID:	127265842
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	286.025753
ΔH_f, kcal/mol:	-66.51
Dipole, Da:	4.31
IP(EA), eV:	-9.34(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-chloro-3-nitrophenyl)ethenyl]pyrimidine-2-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(NC1=O)C(=CC2=CN(N=C2C)C)C

DOS

IR

Vibrations