Geometry & MOs

Info

ID:	320607
PubChem CID:	126662019
Reduced:	O3N4C31H50 (1)
Stoich.:	A3B4C31D50 (1)
Weight, g/mol:	437.340613
ΔH_f, kcal/mol:	-125.9
Dipole, Da:	4.43
IP(EA), eV:	-7.97(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-[(E)-non-2-en-2-yl]cyclohepta-1,4,6-trien-1-yl]oxymethyl]-1-(2-propan-2-yl-4H-imidazol-5-yl)piperidine

Drug info:

PubChemData

Smile

CCC1=CNC(NC1)N2CCC(CC2)COC3=CCC(C=C3)/C(=C/CC(CC)C(=O)N4CCC(CC4)O)/C

DOS

IR

Vibrations