Geometry & MOs

Info

ID:	26357
PubChem CID:	645323
Reduced:	OSN8H18C19 (1)
Stoich.:	ABC8D18E19 (1)
Weight, g/mol:	397.18017
ΔH_f, kcal/mol:	114.53
Dipole, Da:	3.35
IP(EA), eV:	-8.4(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NNC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations