Geometry & MOs

Info

ID:	422351
PubChem CID:	135117679
Reduced:	SN2O5C16H24 (1)
Stoich.:	AB2C5D16E24 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	-189.75
Dipole, Da:	6.88
IP(EA), eV:	-9.09(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-(1H-pyrazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations