Geometry & MOs

Info

ID:	287378
PubChem CID:	104239591
Reduced:	BrON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	330.080491
ΔH_f, kcal/mol:	16.16
Dipole, Da:	6.87
IP(EA), eV:	-9.24(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-cyclopentyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)N2C(=O)C(=C(N2)C3CCCC3)Br

DOS

IR

Vibrations