Geometry & MOs

Info

ID:	424132
PubChem CID:	135121442
Reduced:	SO8C9H10 (1)
Stoich.:	AB8C9D10 (1)
Weight, g/mol:	300.98507
ΔH_f, kcal/mol:	-294.38
Dipole, Da:	7.23
IP(EA), eV:	-9.38(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-bromophenyl)-4H-pyran-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)C(=O)OS(=O)(=O)O

DOS

IR

Vibrations