Geometry & MOs

Info

ID:	206325
PubChem CID:	80232236
Reduced:	NO2S2C14H23 (1)
Stoich.:	AB2C2D14E23 (1)
Weight, g/mol:	245.123821
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	6.17
IP(EA), eV:	-9.09(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CSC=C1C(C2CCCC(C2)S(=O)(=O)C)NC

DOS

IR

Vibrations