Geometry & MOs

Info

ID:	280757
PubChem CID:	103851117
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-191.16
Dipole, Da:	6.75
IP(EA), eV:	-9.06(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)ethanamine

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=CC2=C(C=C1)OCCCO2

DOS

IR

Vibrations