Geometry & MOs

Info

ID:	312761
PubChem CID:	126608379
Reduced:	ON6H18C22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	357.133808
ΔH_f, kcal/mol:	115.25
Dipole, Da:	4.43
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-amino-1-(2-amino-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2)C=C(C=C3)N4C(=C(C=N4)C(=O)C5=CC6=CC=CC=C6N5)N

DOS

IR

Vibrations