Geometry & MOs

Info

ID:	208420
PubChem CID:	80528922
Reduced:	ClNSF2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	271.02562
ΔH_f, kcal/mol:	-54.81
Dipole, Da:	2.45
IP(EA), eV:	-9.11(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=C(C=C(C=C1)F)F)C2=C(C=CS2)Cl

DOS

IR

Vibrations