Geometry & MOs

Info

ID:	242000
PubChem CID:	96025018
Reduced:	NC15H23 (1)
Stoich.:	AB15C23 (1)
Weight, g/mol:	201.15175
ΔH_f, kcal/mol:	-16.48
Dipole, Da:	1.58
IP(EA), eV:	-8.6(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCCC[C@@H]1C2=C(CCN1)C=C(C(=C2)C)C

DOS

IR

Vibrations