Geometry & MOs

Info

ID:	298765
PubChem CID:	117656059
Reduced:	NC9H13 (1)
Stoich.:	AB9C13 (1)
Weight, g/mol:	660.248176
ΔH_f, kcal/mol:	15.3
Dipole, Da:	1.04
IP(EA), eV:	-8.16(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminodiazenyl)-N-[[4-chloro-3-[[6-chloro-5-[3-(3-fluoropentan-3-yl)piperidin-1-yl]-3-methyl-1,2-dihydrobenzimidazol-2-yl]-methylamino]phenyl]methyl]-3,3,3-trifluoropropanamide

Drug info:

PubChemData

Smile

CC1CCC2C=CNC2=C1

DOS

IR

Vibrations