Geometry & MOs

Info

ID:	83096
PubChem CID:	49857141
Reduced:	OSN7H19C20 (1)
Stoich.:	ABC7D19E20 (1)
Weight, g/mol:	284.00481
ΔH_f, kcal/mol:	61.26
Dipole, Da:	6.73
IP(EA), eV:	-8.49(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-7-methoxy-2,2-dimethylchromen-8-ol

Drug info:

PubChemData

Smile

CC1=C(NC2=NC(=NC(=C12)N)N)SC3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations