Geometry & MOs

Info

ID:	47732
PubChem CID:	10534960
Reduced:	H5N5C7 (1)
Stoich.:	A5B5C7 (1)
Weight, g/mol:	159.090675
ΔH_f, kcal/mol:	97.67
Dipole, Da:	4.2
IP(EA), eV:	-9.05(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-deuterio-1-methyl-4-phenylimidazole

Drug info:

PubChemData

Smile

C1=C(C(=NC2=C1NC=N2)N)C#N

DOS

IR

Vibrations