Geometry & MOs

Info

ID:	290245
PubChem CID:	104421959
Reduced:	SN4C9H18 (1)
Stoich.:	AB4C9D18 (1)
Weight, g/mol:	224.200097
ΔH_f, kcal/mol:	37.69
Dipole, Da:	5.22
IP(EA), eV:	-9.38(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,3-diamine

Drug info:

PubChemData

Smile

CCCC1=C(SN=N1)CNCCCN

DOS

IR

Vibrations