Geometry & MOs

Info

ID:	298809
PubChem CID:	117657581
Reduced:	ON5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	347.093773
ΔH_f, kcal/mol:	74.47
Dipole, Da:	3.59
IP(EA), eV:	-8.47(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(5-methylpyridin-3-yl)-2-pyridin-3-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(N=C2NC3=NC=C(C=C3)C)C4=CN=CC=C4

DOS

IR

Vibrations