Geometry & MOs

Info

ID:	208896
PubChem CID:	80601103
Reduced:	OSN2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	239.145619
ΔH_f, kcal/mol:	-43.22
Dipole, Da:	4.51
IP(EA), eV:	-8.44(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylimidazol-1-yl)-N-(thian-2-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CNCC2CCCCS2

DOS

IR

Vibrations