Geometry & MOs

Info

ID:	342637
PubChem CID:	127265797
Reduced:	N4H12C17 (1)
Stoich.:	A4B12C17 (1)
Weight, g/mol:	334.142976
ΔH_f, kcal/mol:	143.83
Dipole, Da:	5.49
IP(EA), eV:	-9.37(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-phenylimidazol-2-yl)ethenyl]-4-propan-2-ylpyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CN=C2C=CC3=NC=C(C=C3)C#N

DOS

IR

Vibrations