Geometry & MOs

Info

ID:	289043
PubChem CID:	104332391
Reduced:	FO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	287.062553
ΔH_f, kcal/mol:	-150.94
Dipole, Da:	1.79
IP(EA), eV:	-9.93(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(4-fluoro-2-methylphenyl)quinazolin-4-amine

Drug info:

PubChemData

Smile

CCC1CCCCC1OC(=O)C2=C(C=C(C=C2)F)C

DOS

IR

Vibrations