Geometry & MOs

Info

ID:	181808
PubChem CID:	76795744
Reduced:	NO3C9H19 (1)
Stoich.:	AB3C9D19 (1)
Weight, g/mol:	1743.905653
ΔH_f, kcal/mol:	-171.89
Dipole, Da:	3.4
IP(EA), eV:	-10.06(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)C(C(C)(C)O)OC(=O)NC

DOS

IR

Vibrations