Geometry & MOs

Info

ID:	244019
PubChem CID:	99309337
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	482.212947
ΔH_f, kcal/mol:	-66.76
Dipole, Da:	1.74
IP(EA), eV:	-9.21(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(CC2)NC(=O)CSCC3=CC=C(C=C3)C#N

DOS

IR

Vibrations