Geometry & MOs

Info

ID:	296917
PubChem CID:	117600530
Reduced:	ClNO4C19H26 (1)
Stoich.:	ABC4D19E26 (1)
Weight, g/mol:	462.217952
ΔH_f, kcal/mol:	-205.04
Dipole, Da:	1.92
IP(EA), eV:	-9.52(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-methyl-4-[2-[5-(3-methyl-4-propan-2-ylpiperazine-1-carbonyl)pyridin-2-yl]-3-oxo-1H-pyrazol-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CN(CC[C@@H]1C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C

DOS

IR

Vibrations