Geometry & MOs

Info

ID:	372031
PubChem CID:	131287766
Reduced:	SN2O3C5H6 (1)
Stoich.:	AB2C3D5E6 (1)
Weight, g/mol:	288.9869
ΔH_f, kcal/mol:	-119.21
Dipole, Da:	3.8
IP(EA), eV:	-8.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-amino-8-bromo-7-chloro-3,4-dihydro-2H-naphthalen-1-yl)methanol

Drug info:

PubChemData

Smile

COC(=O)C1=C(NC(=O)S1)N

DOS

IR

Vibrations