Geometry & MOs

Info

ID:	337239
PubChem CID:	127256804
Reduced:	NF3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-260.91
Dipole, Da:	10.37
IP(EA), eV:	-8.99(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(Z)-(1,5-dimethyl-2-phenylpyrazol-3-ylidene)amino]-1,2-dimethylindol-1-ium-3-imine;acetate

Drug info:

PubChemData

Smile

CCO/C=C(\C(=O)C)/C(=O)NC1=CC=CC(=C1)C(F)(F)F

DOS

IR

Vibrations