Geometry & MOs

Info

ID:	158020
PubChem CID:	56459410
Reduced:	BrOSN3C18H22 (1)
Stoich.:	ABCD3E18F22 (1)
Weight, g/mol:	406.218032
ΔH_f, kcal/mol:	1.14
Dipole, Da:	4.18
IP(EA), eV:	-8.93(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]-N-hexylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCC(CC2)C(=O)NCC3=CC(=CC=C3)Br

DOS

IR

Vibrations