Geometry & MOs

Info

ID:	255832
PubChem CID:	103135018
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	293.12949
ΔH_f, kcal/mol:	-87.86
Dipole, Da:	2.07
IP(EA), eV:	-7.76(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1CCC2=C(N1)C(=CC=C2)OCC3CCC(O3)C

DOS

IR

Vibrations