Geometry & MOs

Info

ID:	206417
PubChem CID:	80247631
Reduced:	O2S2N3C11H15 (1)
Stoich.:	A2B2C3D11E15 (1)
Weight, g/mol:	240.16602
ΔH_f, kcal/mol:	-7.92
Dipole, Da:	2.93
IP(EA), eV:	-8.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpropyl)-N'-[(4-methylthiophen-3-yl)methyl]propane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNCC(COC2=NSN=C2)O

DOS

IR

Vibrations