Geometry & MOs

Info

ID:	352943
PubChem CID:	127284034
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-118.75
Dipole, Da:	6.96
IP(EA), eV:	-8.92(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylidenepiperidin-1-yl)-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2CCCN2C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations