Geometry & MOs

Info

ID:	405870
PubChem CID:	135075752
Reduced:	N2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	333.95085
ΔH_f, kcal/mol:	4.39
Dipole, Da:	2.32
IP(EA), eV:	-8.22(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H]1CCC(N1C2=CC=CC=N2)CC

DOS

IR

Vibrations