Geometry & MOs

Info

ID:	157054
PubChem CID:	56413105
Reduced:	ClON4F5C18H20 (1)
Stoich.:	ABC4D5E18F20 (1)
Weight, g/mol:	485.198442
ΔH_f, kcal/mol:	-279.4
Dipole, Da:	4.1
IP(EA), eV:	-9.15(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCCC1=NC=CN1C(F)F)NC2=C(C=C(C=C2)C(F)(F)F)Cl

DOS

IR

Vibrations