Geometry & MOs

Info

ID:	371996
PubChem CID:	131284969
Reduced:	BrN2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	227.061614
ΔH_f, kcal/mol:	65.43
Dipole, Da:	2.1
IP(EA), eV:	-9.88(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-5-methylsulfonyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C1CC1C[C@H](C2=CC(=CC(=C2)C#N)Br)N

DOS

IR

Vibrations