Geometry & MOs

Info

ID:	242922
PubChem CID:	99214304
Reduced:	N2O5C20H20 (1)
Stoich.:	A2B5C20D20 (1)
Weight, g/mol:	436.115853
ΔH_f, kcal/mol:	-148.07
Dipole, Da:	3.67
IP(EA), eV:	-8.59(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-[[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations