Geometry & MOs

Info

ID:	418163
PubChem CID:	135103735
Reduced:	FO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-83.54
Dipole, Da:	3.3
IP(EA), eV:	-9.27(-0.26)
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]-(2-methoxy-4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)F)CC(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3

DOS

IR

Vibrations