Geometry & MOs

Info

ID:	194480
PubChem CID:	78543663
Reduced:	N3O5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	419.130363
ΔH_f, kcal/mol:	-131.47
Dipole, Da:	6.46
IP(EA), eV:	-8.35(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-2-phenothiazin-10-ylethyl) 3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C=CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations