Geometry & MOs

Info

ID:	25039
PubChem CID:	617488
Reduced:	OCl2N2H8C15 (1)
Stoich.:	AB2C2D8E15 (1)
Weight, g/mol:	302.001368
ΔH_f, kcal/mol:	46.24
Dipole, Da:	3.39
IP(EA), eV:	-9.7(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)C=O)Cl

DOS

IR

Vibrations