Geometry & MOs

Info

ID:	224868
PubChem CID:	85523663
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	305.087435
ΔH_f, kcal/mol:	-91.45
Dipole, Da:	6.49
IP(EA), eV:	-9.14(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propylbenzo[a]phenothiazin-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(C(=O)N2)NC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations