Geometry & MOs

Info

ID:	353241
PubChem CID:	127284421
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	393.161246
ΔH_f, kcal/mol:	-79.5
Dipole, Da:	3.54
IP(EA), eV:	-9.3(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)C(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3)C

DOS

IR

Vibrations