Geometry & MOs

Info

ID:	44228
PubChem CID:	10502100
Reduced:	ClNO4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-131.09
Dipole, Da:	2.09
IP(EA), eV:	-9.37(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminophenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Drug info:

PubChemData

Smile

CC(C)(CO)COC(=O)[C@H]1C[C@@H](N(C1)OCC2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations