Geometry & MOs

Info

ID:	416187
PubChem CID:	135089196
Reduced:	N3O4C16H25 (1)
Stoich.:	A3B4C16D25 (1)
Weight, g/mol:	340.135384
ΔH_f, kcal/mol:	-138.47
Dipole, Da:	2.27
IP(EA), eV:	-8.92(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7R,7aR)-N-(3-chloro-4-fluorophenyl)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)C3(CCN(CC3)C)O

DOS

IR

Vibrations