Geometry & MOs

Info

ID:	263823
PubChem CID:	103400982
Reduced:	NOSCl2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	329.040791
ΔH_f, kcal/mol:	-15.91
Dipole, Da:	1.7
IP(EA), eV:	-8.87(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(C2=C(C=C(C=C2)OC)Cl)NC

DOS

IR

Vibrations