Geometry & MOs

Info

ID:	241939
PubChem CID:	96024717
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	291.162314
ΔH_f, kcal/mol:	-98.71
Dipole, Da:	2.99
IP(EA), eV:	-8.79(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethenyl]benzaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H]1C2=C(CCN1)C=C(C(=C2)C)C

DOS

IR

Vibrations