Geometry & MOs

Info

ID:	303565
PubChem CID:	124489910
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	419.184506
ΔH_f, kcal/mol:	-170.83
Dipole, Da:	1.58
IP(EA), eV:	-8.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)NC4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations