Geometry & MOs

Info

ID:	263829
PubChem CID:	103401015
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	303.029619
ΔH_f, kcal/mol:	-88.78
Dipole, Da:	1.1
IP(EA), eV:	-8.45(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C(=C2)OCCCOCCOC)N

DOS

IR

Vibrations