Geometry & MOs

Info

ID:	157229
PubChem CID:	56422425
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	403.166269
ΔH_f, kcal/mol:	-201.27
Dipole, Da:	8.98
IP(EA), eV:	-8.26(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)N3CCCCC3C4OCCO4

DOS

IR

Vibrations