Geometry & MOs

Info

ID:	378087
PubChem CID:	134224158
Reduced:	NF2O4H15C23 (1)
Stoich.:	AB2C4D15E23 (1)
Weight, g/mol:	411.213362
ΔH_f, kcal/mol:	-157.79
Dipole, Da:	6.86
IP(EA), eV:	-9.39(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methyl-3-octan-2-yloxyphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C2=C(N(C3=C2C=CC(=C3)F)C4=CC=C(C=C4)F)C(=O)O

DOS

IR

Vibrations