Geometry & MOs

Info

ID:	142323
PubChem CID:	53016893
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	6.54
Dipole, Da:	3.78
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2,4-dioxo-3-propyl-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)C(=O)N3CCCC3)C=N1

DOS

IR

Vibrations