Geometry & MOs

Info

ID:	143383
PubChem CID:	53200260
Reduced:	OF2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	-67.15
Dipole, Da:	2.69
IP(EA), eV:	-9.4(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(diethylamino)-3-(3,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C3=NCCN3C(=O)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations