Geometry & MOs

Info

ID:	426129
PubChem CID:	135140932
Reduced:	O3N4C27H30 (1)
Stoich.:	A3B4C27D30 (1)
Weight, g/mol:	450.278347
ΔH_f, kcal/mol:	-37.25
Dipole, Da:	3.34
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[[4-[6-(2-phenylethyl)pyridin-2-yl]piperidin-1-yl]methyl]-6-prop-1-en-2-ylbenzimidazole

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)C(O)O)N=C1CN3CCC(CC3)C4=NC(=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations