Geometry & MOs

Info

ID:	205844
PubChem CID:	80165139
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	242.127994
ΔH_f, kcal/mol:	-34.45
Dipole, Da:	2.31
IP(EA), eV:	-8.07(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine

Drug info:

PubChemData

Smile

C1COC(CO1)CNC2=NC3=C(N2)C=C(C=C3)N

DOS

IR

Vibrations