Geometry & MOs

Info

ID:	352941
PubChem CID:	127284032
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	330.124739
ΔH_f, kcal/mol:	-112.72
Dipole, Da:	4.64
IP(EA), eV:	-9.25(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCCC(C1)C(=O)N2CCC(=C)CC2

DOS

IR

Vibrations