Geometry & MOs

Info

ID:	320280
PubChem CID:	126659215
Reduced:	NS2F3O4C20H26 (1)
Stoich.:	AB2C3D4E20F26 (1)
Weight, g/mol:	335.3552
ΔH_f, kcal/mol:	-294.75
Dipole, Da:	7.82
IP(EA), eV:	-8.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N,2,6-trimethyl-5-(3-methylcyclooctyl)hept-1-en-3-amine

Drug info:

PubChemData

Smile

C[C@](CCC(=C(F)F)F)(C/C=C/[C@H]1CCC(=O)C1CCSC2NC(=CS2)C(=O)O)O

DOS

IR

Vibrations