Geometry & MOs

Info

ID:	371913
PubChem CID:	131279636
Reduced:	BrNOH12C13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	271.97965
ΔH_f, kcal/mol:	8.37
Dipole, Da:	1.76
IP(EA), eV:	-9.25(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine

Drug info:

PubChemData

Smile

COC1=NC=C(C(=C1)C2=CC=CC=C2)CBr

DOS

IR

Vibrations