Geometry & MOs

Info

ID:	208856
PubChem CID:	80595363
Reduced:	SN2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	249.155121
ΔH_f, kcal/mol:	-2.07
Dipole, Da:	2.74
IP(EA), eV:	-7.79(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylphenyl)methyl]-1-(thian-2-yl)methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)NCC2CCCCS2

DOS

IR

Vibrations