Geometry & MOs

Info

ID:	342570
PubChem CID:	127265730
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	261.030504
ΔH_f, kcal/mol:	55.17
Dipole, Da:	3.95
IP(EA), eV:	-9.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=CC(=O)N(C)CC(C)C2=NNN=N2

DOS

IR

Vibrations