Geometry & MOs

Info

ID:	269351
PubChem CID:	103617119
Reduced:	OBr2N2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	308.075012
ΔH_f, kcal/mol:	10.41
Dipole, Da:	1.62
IP(EA), eV:	-9.31(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNCC2=CC(=C(C(=C2)Br)O)Br

DOS

IR

Vibrations