Geometry & MOs

Info

ID:	269370
PubChem CID:	103617206
Reduced:	ClNOSBr2H12C13 (1)
Stoich.:	ABCDE2F12G13 (1)
Weight, g/mol:	295.079763
ΔH_f, kcal/mol:	5.22
Dipole, Da:	2.55
IP(EA), eV:	-9.24(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-N-[(2-ethoxyphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Cl)CCNCC2=CC(=C(C(=C2)Br)O)Br

DOS

IR

Vibrations