Geometry & MOs

Info

ID:	358785
PubChem CID:	127296651
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-87.33
Dipole, Da:	6.4
IP(EA), eV:	-8.61(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylidenepiperidin-1-yl)-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2CCCN2C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations