Geometry & MOs

Info

ID:	180267
PubChem CID:	76606858
Reduced:	YN2C4O4H10 (1)
Stoich.:	AB2C4D4E10 (1)
Weight, g/mol:	501.194296
ΔH_f, kcal/mol:	-175.11
Dipole, Da:	6.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.749760
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(3-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]-2-(dimethylamino)propan-1-one

Drug info:

PubChemData

Smile

CNC(=O)O.CNC(=O)O.[Y]

DOS

IR

Vibrations