Geometry & MOs

Info

ID:	429902
PubChem CID:	135169956
Reduced:	OSF3N3H10C13 (1)
Stoich.:	ABC3D3E10F13 (1)
Weight, g/mol:	221.071975
ΔH_f, kcal/mol:	-112.69
Dipole, Da:	4.02
IP(EA), eV:	-8.68(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(4-ethenyl-3,4-dihydropyrazol-2-yl)aniline

Drug info:

PubChemData

Smile

CC1=CSC2=C(C=CN=C12)N=C(/C(=C\N)/C=O)C(F)(F)F

DOS

IR

Vibrations