Geometry & MOs

Info

ID:	196230
PubChem CID:	78799598
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	317.108565
ΔH_f, kcal/mol:	-56.15
Dipole, Da:	3.25
IP(EA), eV:	-9.17(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydroxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)C2CCC2

DOS

IR

Vibrations