Geometry & MOs

Info

ID:	263845
PubChem CID:	103401195
Reduced:	BrClNS2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	269.044127
ΔH_f, kcal/mol:	17.8
Dipole, Da:	2.36
IP(EA), eV:	-8.3(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine

Drug info:

PubChemData

Smile

CCNC(C1=C(C=C(S1)C)Br)C2=C(C(=CS2)C)Cl

DOS

IR

Vibrations