Geometry & MOs

Info

ID:	391058
PubChem CID:	135002547
Reduced:	ON5C27H27 (1)
Stoich.:	AB5C27D27 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	191.46
Dipole, Da:	6.17
IP(EA), eV:	-8.6(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxyphenyl)-(3-nitrophenyl)methyl]piperidine

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(C(=NC2=CC=C(C=C2)N3CCOCC3)[C@H]4N1C=CC5=CC=CC=C45)(C#N)C#N

DOS

IR

Vibrations