Geometry & MOs

Info

ID:	370580
PubChem CID:	127339718
Reduced:	ClFON4C18H18 (1)
Stoich.:	ABCD4E18F18 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-20.7
Dipole, Da:	3.86
IP(EA), eV:	-8.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-3-propan-2-ylpyrazol-4-yl)-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)C3=C(C4=C(N3)C=CC(=C4)F)Cl

DOS

IR

Vibrations