Geometry & MOs

Info

ID:	397449
PubChem CID:	135030233
Reduced:	NO2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	216.187801
ΔH_f, kcal/mol:	-18.67
Dipole, Da:	6.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763415
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-hexyl-1,2,3,4-tetrahydronaphthalene

Drug info:

PubChemData

Smile

C[N+](C)(C)OC(=C)OC1=CC=CC=C1

DOS

IR

Vibrations