Geometry & MOs

Info

ID:	71046
PubChem CID:	48414217
Reduced:	O2F3N3C14H14 (1)
Stoich.:	A2B3C3D14E14 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-187.18
Dipole, Da:	3.8
IP(EA), eV:	-9.63(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)COC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations