Geometry & MOs

Info

ID:	254191
PubChem CID:	103123297
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	273.101445
ΔH_f, kcal/mol:	-48.41
Dipole, Da:	6.83
IP(EA), eV:	-9.11(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(1-methyl-2H-indazol-3-ylidene)benzimidazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC(C)N1C(=C(N=N1)C(=O)O)C2CCNCC2

DOS

IR

Vibrations