Geometry & MOs

Info

ID:	156055
PubChem CID:	56368951
Reduced:	N3O3C29H29 (1)
Stoich.:	A3B3C29D29 (1)
Weight, g/mol:	411.194677
ΔH_f, kcal/mol:	-64.81
Dipole, Da:	2.32
IP(EA), eV:	-8.41(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-benzyl-2-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=C(C3=CC=CC=C3C=C2)O)C(=O)N4CCC(CC4)C5=CNC6=CC=CC=C65

DOS

IR

Vibrations