Geometry & MOs

Info

ID:	140267
PubChem CID:	52672200
Reduced:	NO3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	342.01634
ΔH_f, kcal/mol:	-89.74
Dipole, Da:	2.44
IP(EA), eV:	-8.59(0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-bromothiophen-2-yl)methyl-[(3,5-dimethoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)CNCC2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations