Geometry & MOs

Info

ID:	184348
PubChem CID:	77149310
Reduced:	NF3O3C15H16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-253.86
Dipole, Da:	3.49
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-2-(pyrrolidin-1-ylmethyl)-4aH-quinazoline-5-carboxylate

Drug info:

PubChemData

Smile

CN1CCC2C1CC3=C(C2)C(=C(C=C3)O)OC(=O)C(F)(F)F

DOS

IR

Vibrations