Geometry & MOs

Info

ID:	206208
PubChem CID:	80219126
Reduced:	ClN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	292.145474
ΔH_f, kcal/mol:	-71.56
Dipole, Da:	3.86
IP(EA), eV:	-9.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-chloropyridin-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CNC(C1CCOC2(C1)CCOC2)C3=NC=C(C=C3)Cl

DOS

IR

Vibrations