Geometry & MOs

Info

ID:	241671
PubChem CID:	96023964
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-23.18
Dipole, Da:	3.32
IP(EA), eV:	-8.62(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethyl]phenol

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2CCC3=CC=C(C=C3)O)C=C1)C

DOS

IR

Vibrations