Geometry & MOs

Info

ID:	249808
PubChem CID:	103092252
Reduced:	BrNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	210.11907
ΔH_f, kcal/mol:	-48.31
Dipole, Da:	3.89
IP(EA), eV:	-8.36(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C/C(C)NC)Br)OC

DOS

IR

Vibrations