Geometry & MOs

Info

ID:	245946
PubChem CID:	103030811
Reduced:	N3C17H33 (1)
Stoich.:	A3B17C33 (1)
Weight, g/mol:	271.204848
ΔH_f, kcal/mol:	-19.07
Dipole, Da:	4.85
IP(EA), eV:	-9.03(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

CCCCCCCCC(CCC1=CC=NN1C)NCC

DOS

IR

Vibrations