Geometry & MOs

Info

ID:	303562
PubChem CID:	124489907
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-134.06
Dipole, Da:	3.68
IP(EA), eV:	-8.54(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)NC4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations