Geometry & MOs

Info

ID:	242001
PubChem CID:	96025028
Reduced:	NC14H19 (1)
Stoich.:	AB14C19 (1)
Weight, g/mol:	201.15175
ΔH_f, kcal/mol:	11.8
Dipole, Da:	1.83
IP(EA), eV:	-8.71(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C(=C)C)C=C1)C

DOS

IR

Vibrations