Geometry & MOs

Info

ID:	24475
PubChem CID:	610467
Reduced:	NO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	-143.93
Dipole, Da:	6.38
IP(EA), eV:	-9.2(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione

Drug info:

PubChemData

Smile

CCC(CO)NC1=C(C(=O)C(=O)C(=C1O)C)C

DOS

IR

Vibrations