Geometry & MOs

Info

ID:	152383
PubChem CID:	56311298
Reduced:	NOC7H11 (3)
Stoich.:	ABC7D11 (3)
Weight, g/mol:	439.177503
ΔH_f, kcal/mol:	-134.5
Dipole, Da:	5.72
IP(EA), eV:	-8.69(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCNC(=O)CN(C)C(=O)CN1CCC(CC1)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations