Geometry & MOs

Info

ID:	419009
PubChem CID:	135107314
Reduced:	N3O3C17H24 (2)
Stoich.:	A3B3C17D24 (2)
Weight, g/mol:	364.215078
ΔH_f, kcal/mol:	-230.79
Dipole, Da:	5.82
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)CC3=CC=NC=C3

DOS

IR

Vibrations