Geometry & MOs

Info

ID:	342245
PubChem CID:	127265022
Reduced:	BrN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	336.077789
ΔH_f, kcal/mol:	-19.16
Dipole, Da:	2.02
IP(EA), eV:	-9.47(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-chloro-2-pyrazolo[1,5-a]pyridin-3-ylethenyl)-8-methyl-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(=O)C1=CNC(=C1)C(=O)NC2CC2C3=CC=CC=C3Br

DOS

IR

Vibrations