Geometry & MOs

Info

ID:	374130
PubChem CID:	131324057
Reduced:	BrO2N3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	336.97304
ΔH_f, kcal/mol:	-49.26
Dipole, Da:	5.75
IP(EA), eV:	-9.34(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-amino-7-chloro-5-iodo-3,4-dihydro-2H-naphthalen-1-yl]methanol

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=C1)C(=O)OC)Br

DOS

IR

Vibrations