Geometry & MOs

Info

ID:	270077
PubChem CID:	103626089
Reduced:	BrN2S2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	339.02925
ΔH_f, kcal/mol:	58.15
Dipole, Da:	2.43
IP(EA), eV:	-9.33(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromothiophen-2-yl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CNCCC2=CC=C(S2)Br

DOS

IR

Vibrations