Geometry & MOs

Info

ID:	208102
PubChem CID:	80496346
Reduced:	ON5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	296.151622
ΔH_f, kcal/mol:	2.96
Dipole, Da:	4.79
IP(EA), eV:	-9.35(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloro-2-ethyl-5-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)CN(CCCN)C(=O)C1=NNN=C1

DOS

IR

Vibrations