Geometry & MOs

Info

ID:	372478
PubChem CID:	131298320
Reduced:	BrN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-38.0
Dipole, Da:	5.52
IP(EA), eV:	-9.23(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-amino-7-chloro-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanol

Drug info:

PubChemData

Smile

COC(=O)CC1=CC2=C(C(=C1)Br)N=CN2

DOS

IR

Vibrations