Geometry & MOs

Info

ID:	303563
PubChem CID:	124489908
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-117.43
Dipole, Da:	1.46
IP(EA), eV:	-8.54(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations