Geometry & MOs

Info

ID:	275377
PubChem CID:	103815567
Reduced:	SN2O2C13H28 (1)
Stoich.:	AB2C2D13E28 (1)
Weight, g/mol:	224.200097
ΔH_f, kcal/mol:	-115.24
Dipole, Da:	6.45
IP(EA), eV:	-8.85(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',2,2-trimethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]propane-1,3-diamine

Drug info:

PubChemData

Smile

CCCS(=O)(=O)CCN1CCC(CC1)CNCC

DOS

IR

Vibrations