Geometry & MOs

Info

ID:	416101
PubChem CID:	135089109
Reduced:	SN3O5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-150.73
Dipole, Da:	10.12
IP(EA), eV:	-9.88(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@H]1O)(CC2CC2)C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)N=CN4

DOS

IR

Vibrations