Geometry & MOs

Info

ID:	415186
PubChem CID:	135088177
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-50.51
Dipole, Da:	4.3
IP(EA), eV:	-9.18(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzylpiperidin-4-yl)-1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)C3=CC4=CC=CC=C4C=N3

DOS

IR

Vibrations