Geometry & MOs

Info

ID:	373145
PubChem CID:	131310686
Reduced:	BrNO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	241.077265
ΔH_f, kcal/mol:	-90.93
Dipole, Da:	5.19
IP(EA), eV:	-9.0(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-8-methyl-7-methylsulfonyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

COC1=CC(=C2C(=O)C[C@@H](C2=C1O)N)Br

DOS

IR

Vibrations