Geometry & MOs

Info

ID:	322352
PubChem CID:	126669892
Reduced:	ClON2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	404.209137
ΔH_f, kcal/mol:	-39.51
Dipole, Da:	4.79
IP(EA), eV:	-8.56(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidin-1-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine

Drug info:

PubChemData

Smile

COC1CCN(C(C1)CC2=CC=C(C=C2)Cl)C3CCNCC3

DOS

IR

Vibrations