Geometry & MOs

Info

ID:	244096
PubChem CID:	99313643
Reduced:	F2N3O3H17C18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	384.14337
ΔH_f, kcal/mol:	-182.26
Dipole, Da:	5.87
IP(EA), eV:	-8.92(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2-oxo-1H-pyridin-3-yl)butanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CNC2=O)C(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations