Geometry & MOs

Info

ID:	294274
PubChem CID:	117448531
Reduced:	NOSC16H25 (1)
Stoich.:	ABCD16E25 (1)
Weight, g/mol:	279.041069
ΔH_f, kcal/mol:	-47.37
Dipole, Da:	3.58
IP(EA), eV:	-8.33(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(5-amino-1-methylpyrazol-3-yl)-5-chloro-1,3-benzodioxole-4-carbaldehyde

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1OC)CC2CCCCN2)SC

DOS

IR

Vibrations