Geometry & MOs

Info

ID:	314467
PubChem CID:	126621875
Reduced:	BrON2H15C26 (1)
Stoich.:	ABC2D15E26 (1)
Weight, g/mol:	291.056325
ΔH_f, kcal/mol:	116.46
Dipole, Da:	3.29
IP(EA), eV:	-8.98(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-pyridin-3-ylbenzo[h]quinazoline

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC4=C3OC5=CC=CC=C54)C6=CC(=CC=C6)Br

DOS

IR

Vibrations