Geometry & MOs

Info

ID:	425802
PubChem CID:	135128072
Reduced:	FN2H8C10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	344.06366
ΔH_f, kcal/mol:	19.09
Dipole, Da:	3.18
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(1,2-dihydropyridin-3-yl)-N-propan-2-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C=C(C=C2)C3=C(C=C(C=C3)F)F)C4CC=CC=N4

DOS

IR

Vibrations