Geometry & MOs

Info

ID:	329110
PubChem CID:	126731276
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	1186.770761
ΔH_f, kcal/mol:	-108.04
Dipole, Da:	10.36
IP(EA), eV:	-8.17(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C1=C(C(=O)C=CN1C)O)O

DOS

IR

Vibrations