Geometry & MOs

Info

ID:	418520
PubChem CID:	135105504
Reduced:	NO3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	368.190006
ΔH_f, kcal/mol:	-111.05
Dipole, Da:	2.72
IP(EA), eV:	-8.06(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7R,7aR)-N-[(3-fluorophenyl)methyl]-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations