Geometry & MOs

Info

ID:	195627
PubChem CID:	78712851
Reduced:	N3O7C19H19 (1)
Stoich.:	A3B7C19D19 (1)
Weight, g/mol:	401.195071
ΔH_f, kcal/mol:	-260.48
Dipole, Da:	5.34
IP(EA), eV:	-9.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(pentylamino)ethyl] 4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)OCC(=O)N4CCOC4=O

DOS

IR

Vibrations