Geometry & MOs

Info

ID:	264232
PubChem CID:	103444473
Reduced:	ClSN2O2C15H23 (1)
Stoich.:	ABC2D2E15F23 (1)
Weight, g/mol:	326.106502
ΔH_f, kcal/mol:	-80.11
Dipole, Da:	7.13
IP(EA), eV:	-9.21(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloro-2,5-dimethylpyrazol-3-yl)-1-(3-chloropyridin-2-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(C1CCCC(C1)S(=O)(=O)C)C2=C(C=CC=N2)Cl

DOS

IR

Vibrations