Geometry & MOs

Info

ID:	3887
PubChem CID:	10359
Reduced:	NO3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	167.058243
ΔH_f, kcal/mol:	-96.3
Dipole, Da:	4.22
IP(EA), eV:	-9.25(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(3,4-dihydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)CN)O)O

DOS

IR

Vibrations