Geometry & MOs

Info

ID:	175674
PubChem CID:	75934733
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	427.129884
ΔH_f, kcal/mol:	-109.15
Dipole, Da:	6.72
IP(EA), eV:	-9.14(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC(=C2)C=CC(=O)N3CCCCC3C4OCCO4

DOS

IR

Vibrations