Geometry & MOs

Info

ID:	374306
PubChem CID:	131326442
Reduced:	INO2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	271.02079
ΔH_f, kcal/mol:	-33.45
Dipole, Da:	4.31
IP(EA), eV:	-9.74(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-amino-3-bromo-1-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

CC(C)OC1=NC=CC(=C1C=O)I

DOS

IR

Vibrations