Geometry & MOs

Info

ID:	241949
PubChem CID:	96024753
Reduced:	BrNC15H22 (1)
Stoich.:	ABC15D22 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	-18.62
Dipole, Da:	3.52
IP(EA), eV:	-8.04(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations