Geometry & MOs

Info

ID:	283076
PubChem CID:	103956661
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	277.077265
ΔH_f, kcal/mol:	-50.04
Dipole, Da:	7.03
IP(EA), eV:	-9.37(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)CC(C)C#N)O

DOS

IR

Vibrations