Geometry & MOs

Info

ID:	191193
PubChem CID:	78116409
Reduced:	BrNO2C22H24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	393.103479
ΔH_f, kcal/mol:	-47.03
Dipole, Da:	5.13
IP(EA), eV:	-9.23(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dimethoxyphenyl)ethenyl]-10H-phenothiazine 5,5-dioxide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1(CCC(=N1)C2=CC=CC=C2)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations