Geometry & MOs

Info

ID:	241669
PubChem CID:	96023960
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-59.2
Dipole, Da:	6.19
IP(EA), eV:	-9.19(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=CC=CC=C3C(=O)O)C=C1)C

DOS

IR

Vibrations