Geometry & MOs

Info

ID:	310727
PubChem CID:	126584639
Reduced:	F5N7C20H20 (1)
Stoich.:	A5B7C20D20 (1)
Weight, g/mol:	191.105862
ΔH_f, kcal/mol:	-174.5
Dipole, Da:	7.21
IP(EA), eV:	-9.69(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-propan-2-yl-5H-benzimidazol-4-one

Drug info:

PubChemData

Smile

CC(C)(C)NC1=NC(=NC(=N1)NC2=CC(=NC=C2)C(F)(F)F)C3=NC(=CC=C3)C(C)(F)F

DOS

IR

Vibrations