Geometry & MOs

Info

ID:	195622
PubChem CID:	78712846
Reduced:	N3O5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	369.132471
ΔH_f, kcal/mol:	-199.49
Dipole, Da:	5.24
IP(EA), eV:	-9.16(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(prop-2-ynylamino)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)N4CCCCCCC4

DOS

IR

Vibrations