Geometry & MOs

Info

ID:	422773
PubChem CID:	135118386
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	387.1646
ΔH_f, kcal/mol:	-99.19
Dipole, Da:	7.01
IP(EA), eV:	-8.61(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations