Geometry & MOs

Info

ID:	206068
PubChem CID:	80198785
Reduced:	NSF2O3H11C13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	296.048318
ΔH_f, kcal/mol:	-191.23
Dipole, Da:	1.85
IP(EA), eV:	-9.21(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-(3,5-dichlorophenyl)pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)F)C2=CSC(=O)N2CCCC(=O)O

DOS

IR

Vibrations