Geometry & MOs

Info

ID:	49504
PubChem CID:	11533134
Reduced:	FNOC27H29 (1)
Stoich.:	ABCD27E29 (1)
Weight, g/mol:	482.195405
ΔH_f, kcal/mol:	-0.56
Dipole, Da:	4.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.190798
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC5=CC=CC=C5F

DOS

IR

Vibrations