Geometry & MOs

Info

ID:	420226
PubChem CID:	135111943
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	337.144471
ΔH_f, kcal/mol:	-13.06
Dipole, Da:	5.69
IP(EA), eV:	-8.49(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(3-chloro-5-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=CC2=O)CN3CCN4CCCC4C3

DOS

IR

Vibrations