Geometry & MOs

Info

ID:	127241
PubChem CID:	50996077
Reduced:	OS2N8H14C17 (1)
Stoich.:	AB2C8D14E17 (1)
Weight, g/mol:	422.164017
ΔH_f, kcal/mol:	107.25
Dipole, Da:	11.33
IP(EA), eV:	-9.03(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=C(C(=O)N12)C3=NC=CS3)C(C)NC4=NC=NC5=C4NC=N5

DOS

IR

Vibrations