Geometry & MOs

Info

ID:	263826
PubChem CID:	103401008
Reduced:	NO4C13H21 (1)
Stoich.:	AB4C13D21 (1)
Weight, g/mol:	344.95898
ΔH_f, kcal/mol:	-146.3
Dipole, Da:	2.38
IP(EA), eV:	-8.34(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

COCCOCCCOC1=C(C=C(C=C1)OC)N

DOS

IR

Vibrations