Geometry & MOs

Info

ID:	81137
PubChem CID:	49854391
Reduced:	N3O5C36H45 (1)
Stoich.:	A3B5C36D45 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-165.75
Dipole, Da:	6.42
IP(EA), eV:	-8.61(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide

Drug info:

PubChemData

Smile

CCCCCCCCCOC(=O)OC(C)N1C2=C(C(=CC=C2)N3CCN(CC3)CC4=CC(=CC=C4)C5=CC=CC=C5)OC1=O

DOS

IR

Vibrations