Geometry & MOs

Info

ID:	263818
PubChem CID:	103400772
Reduced:	NOSCl2C15H17 (1)
Stoich.:	ABCD2E15F17 (1)
Weight, g/mol:	422.88817
ΔH_f, kcal/mol:	-18.55
Dipole, Da:	3.3
IP(EA), eV:	-8.72(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-methylthiophen-2-yl)-(2,5-dibromophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC(=C(C=C1)OC)Cl)C2=C(C(=CS2)C)Cl

DOS

IR

Vibrations