Geometry & MOs

Info

ID:	83090
PubChem CID:	49857135
Reduced:	ClO3N5H24C27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	238.01452
ΔH_f, kcal/mol:	19.73
Dipole, Da:	6.2
IP(EA), eV:	-8.61(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-methyl-4-oxoquinazoline-6-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=NC2=C(C1=O)C=C(C(=C2)Cl)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)CO

DOS

IR

Vibrations