Geometry & MOs

Info

ID:	198553
PubChem CID:	79118756
Reduced:	NC13H23 (1)
Stoich.:	AB13C23 (1)
Weight, g/mol:	297.197176
ΔH_f, kcal/mol:	12.03
Dipole, Da:	1.41
IP(EA), eV:	-8.65(2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-2-ethyl-5-methylpyrazol-3-yl)methyl]-2-propylazepane

Drug info:

PubChemData

Smile

CCCC1(CCCCCN1)CC#CC

DOS

IR

Vibrations