Geometry & MOs

Info

ID:	241960
PubChem CID:	96024824
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	-64.48
Dipole, Da:	2.21
IP(EA), eV:	-8.64(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)[C@H](C3=CC=C(C=C3)O)O

DOS

IR

Vibrations