Geometry & MOs

Info

ID:	282052
PubChem CID:	103914805
Reduced:	NCl2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	314.141262
ΔH_f, kcal/mol:	-104.72
Dipole, Da:	4.49
IP(EA), eV:	-9.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NCC(C2=C(C=CC(=C2)Cl)Cl)O

DOS

IR

Vibrations