Geometry & MOs

Info

ID:	296909
PubChem CID:	117600408
Reduced:	O2C10H11 (2)
Stoich.:	A2B10C11 (2)
Weight, g/mol:	420.171002
ΔH_f, kcal/mol:	-107.24
Dipole, Da:	2.72
IP(EA), eV:	-8.98(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(C(O2)C(=O)OC(C)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations