Geometry & MOs

Info

ID:	15421
PubChem CID:	440988
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-93.29
Dipole, Da:	1.79
IP(EA), eV:	-8.65(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O

DOS

IR

Vibrations