Geometry & MOs

Info

ID:	263822
PubChem CID:	103400978
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	315.025141
ΔH_f, kcal/mol:	-47.5
Dipole, Da:	4.75
IP(EA), eV:	-8.33(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine

Drug info:

PubChemData

Smile

COCCOCCCOC1=CC=C(C2=NON=C12)N

DOS

IR

Vibrations