Geometry & MOs

Info

ID:	85637
PubChem CID:	49877824
Reduced:	BrN2O3H19C25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	424.109089
ΔH_f, kcal/mol:	29.5
Dipole, Da:	12.02
IP(EA), eV:	-8.44(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[[2-(6-chloro-4-phenylquinazolin-2-yl)hydrazinyl]methylidene]naphthalen-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C/C(=C/3\C(=C4C=C(C=CC4=NC3=O)Br)C5=CC=CC=C5)/NO2

DOS

IR

Vibrations