Geometry & MOs

Info

ID:	195628
PubChem CID:	78712852
Reduced:	N3O5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	415.210721
ΔH_f, kcal/mol:	-207.48
Dipole, Da:	5.27
IP(EA), eV:	-9.4(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCNC(=O)COC(=O)C12CCC(=O)N1C3=CC=CC=C3C(=O)N2CC

DOS

IR

Vibrations