Geometry & MOs

Info

ID:	303566
PubChem CID:	124489911
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-128.66
Dipole, Da:	3.33
IP(EA), eV:	-9.34(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-N-(3-acetamidophenyl)-1,5-dioxo-4-propyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)NC4=CC=CC(=C4)C(=O)C

DOS

IR

Vibrations