Geometry & MOs

Info

ID:	342059
PubChem CID:	127264772
Reduced:	N4H12C15 (1)
Stoich.:	A4B12C15 (1)
Weight, g/mol:	253.085127
ΔH_f, kcal/mol:	128.02
Dipole, Da:	5.05
IP(EA), eV:	-8.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-nitrophenyl)buta-1,3-dienyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C=N2)C=CC3=NC=NC=C3

DOS

IR

Vibrations