Geometry & MOs

Info

ID:	337464
PubChem CID:	127257149
Reduced:	ClN2O5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	306.061612
ΔH_f, kcal/mol:	25.05
Dipole, Da:	3.57
IP(EA), eV:	-9.27(-5.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(6-oxonaphthalen-2-ylidene)-6-(trifluoromethyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C2=CC=CC=C2.C1=CN=CNC1=O.OCl(=O)(=O)=O

DOS

IR

Vibrations