Geometry & MOs

Info

ID:	232847
PubChem CID:	87577222
Reduced:	N2O3H24C26 (1)
Stoich.:	A2B3C24D26 (1)
Weight, g/mol:	276.157288
ΔH_f, kcal/mol:	-62.04
Dipole, Da:	5.25
IP(EA), eV:	-8.56(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutane-2,2-diol;2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(C=C(C(=C1C2=CNC3=CC=CC=C32)C)C)C4=CC(=CC=C4)C(=O)O

DOS

IR

Vibrations