Geometry & MOs

Info

ID:	392569
PubChem CID:	135017214
Reduced:	BrN3C18H18 (1)
Stoich.:	AB3C18D18 (1)
Weight, g/mol:	332.081361
ΔH_f, kcal/mol:	69.33
Dipole, Da:	5.45
IP(EA), eV:	-8.86(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-diethoxyphosphorylbenzo[h]chromen-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C3=C(C=C(C=C3)Br)N=C2C4=CC=CC=N4

DOS

IR

Vibrations