Geometry & MOs

Info

ID:	209124
PubChem CID:	80627691
Reduced:	SN3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	263.170771
ΔH_f, kcal/mol:	2.77
Dipole, Da:	2.33
IP(EA), eV:	-8.59(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethylphenyl)-(thian-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1CCCCS1)C2=C(C=CN=C2N)C

DOS

IR

Vibrations