Geometry & MOs

Info

ID:	30452
PubChem CID:	841353
Reduced:	NSF3O3H12C15 (1)
Stoich.:	ABC3D3E12F15 (1)
Weight, g/mol:	347.151288
ΔH_f, kcal/mol:	-239.74
Dipole, Da:	3.66
IP(EA), eV:	-9.24(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(S1)NC(=O)C(F)(F)F)C(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations