Geometry & MOs

Info

ID:	270102
PubChem CID:	103628319
Reduced:	ClFNSC14H15 (1)
Stoich.:	ABCDE14F15 (1)
Weight, g/mol:	259.139471
ΔH_f, kcal/mol:	-18.5
Dipole, Da:	3.87
IP(EA), eV:	-9.15(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethylphenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNCC2=CC(=C(C=C2)Cl)F

DOS

IR

Vibrations