Geometry & MOs

Info

ID:	340469
PubChem CID:	127262480
Reduced:	BrN2O2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	364.121178
ΔH_f, kcal/mol:	25.71
Dipole, Da:	3.83
IP(EA), eV:	-9.65(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(4-oxonaphthalen-1-ylidene)-2-phenyl-3H-phthalazin-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=C\3/C=CC(=O)C(=C3)Br)/NNC2=O

DOS

IR

Vibrations