Geometry & MOs

Info

ID:	325654
PubChem CID:	126684375
Reduced:	ION2C40H40 (1)
Stoich.:	ABC2D40E40 (1)
Weight, g/mol:	343.3239
ΔH_f, kcal/mol:	86.39
Dipole, Da:	2.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.149250
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1R)-5-(1-bicyclo[1.1.0]butanylmethyl)cyclononyl]methyl]-4-(cyclopropylmethyl)piperidine

Drug info:

PubChemData

Smile

CCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C\C=C\C=C\C=C\C4=[N+](C5=C(C4(C)C)C6=CC=CC=C6C=C5)CCC(=O)I)(C)C

DOS

IR

Vibrations