Geometry & MOs

Info

ID:	420660
PubChem CID:	135114624
Reduced:	NS2O3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	-104.06
Dipole, Da:	5.27
IP(EA), eV:	-9.38(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-pyrazol-1-ylbutanamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations