Geometry & MOs

Info

ID:	441189
PubChem CID:	135233511
Reduced:	F3N6H17C21 (1)
Stoich.:	A3B6C17D21 (1)
Weight, g/mol:	476.32636
ΔH_f, kcal/mol:	-28.05
Dipole, Da:	5.57
IP(EA), eV:	-9.19(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)pyridin-2-yl]-2,2-dimethylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=C(N(C=N2)CCCC(F)(F)F)C3=CN4C(=NC=C4C#N)C=C3

DOS

IR

Vibrations