Geometry & MOs

Info

ID:	365799
PubChem CID:	127318524
Reduced:	N3O4C20H35 (1)
Stoich.:	A3B4C20D35 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-199.11
Dipole, Da:	1.03
IP(EA), eV:	-8.73(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-methyl-4-[2-[3-(2-methylpropyl)morpholin-4-yl]-2-oxoethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione

Drug info:

PubChemData

Smile

CC(C)CC1COCCN1C(=O)CCN2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations