Geometry & MOs

Info

ID:	143333
PubChem CID:	53192714
Reduced:	ON6C16H24 (1)
Stoich.:	AB6C16D24 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	15.01
Dipole, Da:	3.68
IP(EA), eV:	-9.17(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxyphenyl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCC(=O)N2CCCC(C2)C3=NN=CN3C)C

DOS

IR

Vibrations