Geometry & MOs

Info

ID:	13337
PubChem CID:	226074
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-197.92
Dipole, Da:	5.15
IP(EA), eV:	-9.82(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1CCC2=C(C1)C(=O)NC(=O)N2

DOS

IR

Vibrations