Geometry & MOs

Info

ID:	209826
PubChem CID:	80727192
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	268.19732
ΔH_f, kcal/mol:	-33.93
Dipole, Da:	2.23
IP(EA), eV:	-8.94(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine

Drug info:

PubChemData

Smile

CC1CN(CCO1)CC2=C(SC(=C2)CN)C

DOS

IR

Vibrations