Geometry & MOs

Info

ID:	249919
PubChem CID:	103092865
Reduced:	ClNSC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	238.15037
ΔH_f, kcal/mol:	35.26
Dipole, Da:	2.26
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-5-[(E)-3-(propylamino)but-1-enyl]thiophen-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC=C(S1)C2=CC=CC=C2Cl

DOS

IR

Vibrations