Geometry & MOs

Info

ID:	295056
PubChem CID:	117513573
Reduced:	SN2O2C18H28 (1)
Stoich.:	AB2C2D18E28 (1)
Weight, g/mol:	336.087685
ΔH_f, kcal/mol:	-61.18
Dipole, Da:	3.25
IP(EA), eV:	-8.16(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCN2CCNCC2)OC3CCCSC3

DOS

IR

Vibrations