Geometry & MOs

Info

ID:	322832
PubChem CID:	126671285
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-67.2
Dipole, Da:	5.74
IP(EA), eV:	-9.17(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl 2-[4-[3-(ethylamino)phenoxy]butoxy]ethanethioate

Drug info:

PubChemData

Smile

CCC(=O)C1=NC=C(C=C1)OCCCNC(C)C

DOS

IR

Vibrations