Geometry & MOs

Info

ID:	229493
PubChem CID:	87567842
Reduced:	BrNOC13H26 (1)
Stoich.:	ABCD13E26 (1)
Weight, g/mol:	219.048463
ΔH_f, kcal/mol:	-74.84
Dipole, Da:	10.51
IP(EA), eV:	-7.69(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-2-thiophen-2-ylpropanal;hydrochloride

Drug info:

PubChemData

Smile

CCC(C)[N+]1(CCCC(=O)C1)C(C)CC.[Br-]

DOS

IR

Vibrations