Geometry & MOs

Info

ID:	421168
PubChem CID:	135115497
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	40.88
Dipole, Da:	6.47
IP(EA), eV:	-9.26(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carbonyl]-6-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)CCN2C=NC=N2)C(=O)C3=CC=CS3

DOS

IR

Vibrations