Geometry & MOs

Info

ID:	405786
PubChem CID:	135075447
Reduced:	IO2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	290.001368
ΔH_f, kcal/mol:	-95.51
Dipole, Da:	6.22
IP(EA), eV:	-8.47(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2-chloro-4-(4-chloro-2H-phthalazin-1-ylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)[C@@H]([C@@H]1CCC(=O)O1)I

DOS

IR

Vibrations