Geometry & MOs

Info

ID:	414802
PubChem CID:	135087765
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	354.230728
ΔH_f, kcal/mol:	-39.72
Dipole, Da:	7.72
IP(EA), eV:	-8.43(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations