Geometry & MOs

Info

ID:	321421
PubChem CID:	126665990
Reduced:	FO2N3H8C12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	412.13584
ΔH_f, kcal/mol:	-15.49
Dipole, Da:	1.05
IP(EA), eV:	-9.5(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2E)-2-amino-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)NN=C2C3=CC=C(C=C3)F

DOS

IR

Vibrations