Geometry & MOs

Info

ID:	68788
PubChem CID:	46509090
Reduced:	NO6C23H23 (1)
Stoich.:	AB6C23D23 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	-150.59
Dipole, Da:	5.43
IP(EA), eV:	-8.25(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)/C=C/C3=CC(=C(C=C3OC)OC)OC

DOS

IR

Vibrations