Geometry & MOs

Info

ID:	435364
PubChem CID:	135191289
Reduced:	O3N7C17H17 (1)
Stoich.:	A3B7C17D17 (1)
Weight, g/mol:	216.137497
ΔH_f, kcal/mol:	6.71
Dipole, Da:	6.01
IP(EA), eV:	-9.46(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-2-(5-propyl-1H-imidazol-2-yl)pyrimidine

Drug info:

PubChemData

Smile

CNC1=C(N=C(N=C1N(CC2=CC(=CC=C2)C(=O)O)C=O)N3C=CC=N3)N

DOS

IR

Vibrations