Geometry & MOs

Info

ID:	320126
PubChem CID:	126658358
Reduced:	ClO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	412.060614
ΔH_f, kcal/mol:	-111.47
Dipole, Da:	7.57
IP(EA), eV:	-9.86(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-chloro-2-(1,2-dihydropyrimidin-5-yl)phenoxy]-1-iminophthalazine-2-carboximidoyl chloride

Drug info:

PubChemData

Smile

C1C(COC1Cl)C2=C(C=CC(=C2)O)C=O

DOS

IR

Vibrations