Geometry & MOs

Info

ID:	315256
PubChem CID:	126625283
Reduced:	NC13H27 (1)
Stoich.:	AB13C27 (1)
Weight, g/mol:	478.30318
ΔH_f, kcal/mol:	-32.61
Dipole, Da:	0.77
IP(EA), eV:	-8.52(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-3-methyl-1-[3-[5-methyl-2-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]hexan-2-yl]pyrazol-3-yl]butyl]pyrazole

Drug info:

PubChemData

Smile

CCCC(CCC)N(C)C(=C)C(C)C

DOS

IR

Vibrations