Geometry & MOs

Info

ID:	303564
PubChem CID:	124489909
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-145.35
Dipole, Da:	3.7
IP(EA), eV:	-8.54(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-N-(3,5-dimethoxyphenyl)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations