Geometry & MOs

Info

ID:	195624
PubChem CID:	78712848
Reduced:	O3N5C15H17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	399.179421
ΔH_f, kcal/mol:	-1.46
Dipole, Da:	6.84
IP(EA), eV:	-9.61(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=NN=N1)COC(=O)C(C)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations