Geometry & MOs

Info

ID:	73246
PubChem CID:	48417272
Reduced:	O3N5H15C17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	342.122909
ΔH_f, kcal/mol:	31.92
Dipole, Da:	2.43
IP(EA), eV:	-9.41(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations