Geometry & MOs

Info

ID:	414957
PubChem CID:	135087937
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	332.167083
ΔH_f, kcal/mol:	2.56
Dipole, Da:	5.75
IP(EA), eV:	-9.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[[2-(dimethylamino)ethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)CN(CCO)CC3=CN=CN3C

DOS

IR

Vibrations