Geometry & MOs

Info

ID:	123474
PubChem CID:	50849349
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	318.124739
ΔH_f, kcal/mol:	6.52
Dipole, Da:	4.88
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-5-methyltriazol-4-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2N=C(C(=N2)C(=O)NC3CCCCC3)C

DOS

IR

Vibrations