Geometry & MOs

Info

ID:	242007
PubChem CID:	96025053
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	8.51
Dipole, Da:	2.15
IP(EA), eV:	-8.77(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(E)-2-(furan-2-yl)ethenyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2/C=C/C3=CC=CO3)C=C1)C

DOS

IR

Vibrations