Geometry & MOs

Info

ID:	379396
PubChem CID:	134419304
Reduced:	NO3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	224.106196
ΔH_f, kcal/mol:	-228.91
Dipole, Da:	5.27
IP(EA), eV:	-10.15(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethylpyrimidin-5-yl)-1H-benzimidazole

Drug info:

PubChemData

Smile

CC(CO)OC(COC(=O)C1=CC=CC=C1)N2C=CC(=O)NC2=O

DOS

IR

Vibrations