Geometry & MOs

Info

ID:	296961
PubChem CID:	117603051
Reduced:	NF2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-115.42
Dipole, Da:	4.94
IP(EA), eV:	-9.62(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-phenylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)C2(CCC(=C2)C3=NC=C(C=C3)F)C(=O)O

DOS

IR

Vibrations