Geometry & MOs

Info

ID:	9704
PubChem CID:	92514
Reduced:	NC18H36 (1)
Stoich.:	AB18C36 (1)
Weight, g/mol:	266.284775
ΔH_f, kcal/mol:	-18.56
Dipole, Da:	2.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.900323
Charge, e:	1

Chem-info

IUPAC name:

1-(3,7-dimethyloctyl)-1-prop-2-enylpiperidin-1-ium

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CC[N+]1(CCCCC1)CC=C

DOS

IR

Vibrations