Geometry & MOs

Info

ID:	429635
PubChem CID:	135169684
Reduced:	OF4N9H13C18 (1)
Stoich.:	AB4C9D13E18 (1)
Weight, g/mol:	312.08341
ΔH_f, kcal/mol:	-56.75
Dipole, Da:	6.6
IP(EA), eV:	-9.43(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-2-amino-1-(2-aminophenyl)ethenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2N=CC=N2)NC(=O)C3=C(N(N=C3)C4=NC(=C(C=C4)F)N)C(F)(F)F

DOS

IR

Vibrations