Geometry & MOs

Info

ID:	40226
PubChem CID:	8143778
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	298.191937
ΔH_f, kcal/mol:	-78.03
Dipole, Da:	2.6
IP(EA), eV:	-8.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C(=O)N/N=C\C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations