Geometry & MOs

Info

ID:	300428
PubChem CID:	121280732
Reduced:	ON7H19C24 (1)
Stoich.:	AB7C19D24 (1)
Weight, g/mol:	453.143704
ΔH_f, kcal/mol:	115.19
Dipole, Da:	2.52
IP(EA), eV:	-9.09(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(but-2-ynoylamino)-7-methoxyquinazolin-4-yl]oxy-N-pyridin-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=C3C=CN(C3=NC=C2)CC(=O)NC4=NC=C(C=C4)C5=NC=CN=C5

DOS

IR

Vibrations