Geometry & MOs

Info

ID:	157531
PubChem CID:	56435562
Reduced:	ION3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	489.299142
ΔH_f, kcal/mol:	2.68
Dipole, Da:	6.14
IP(EA), eV:	-8.64(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=CC=C2I)C(C)(C)C

DOS

IR

Vibrations