Geometry & MOs

Info

ID:	200529
PubChem CID:	79405352
Reduced:	BrNSC12H20 (1)
Stoich.:	ABCD12E20 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	1.68
Dipole, Da:	3.77
IP(EA), eV:	-8.99(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxothiolan-3-yl)-5-(2-methylpropyl)-4-propylpyrazol-3-amine

Drug info:

PubChemData

Smile

CCCCC(CC1=CC=C(S1)Br)NCC

DOS

IR

Vibrations