Geometry & MOs

Info

ID:	447084
PubChem CID:	135280127
Reduced:	O2N3C18H23 (2)
Stoich.:	A2B3C18D23 (2)
Weight, g/mol:	263.076871
ΔH_f, kcal/mol:	-116.58
Dipole, Da:	6.9
IP(EA), eV:	-8.28(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-12H-benzo[a]phenothiazine

Drug info:

PubChemData

Smile

CCN(C1CCN(C1)C(=O)C=C)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)NC4=CC=C(C=C4)CN5CCOCC5

DOS

IR

Vibrations