Geometry & MOs

Info

ID:	242072
PubChem CID:	96025374
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	-70.77
Dipole, Da:	3.69
IP(EA), eV:	-8.77(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-[(1R)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethenyl]phenol

Drug info:

PubChemData

Smile

CC1=C2CCN[C@@H](C2=C(C=C1)C)[C@@H](CC(C)C)NC(=O)C

DOS

IR

Vibrations