Geometry & MOs

Info

ID:	430515
PubChem CID:	135170581
Reduced:	NO4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	942.316154
ΔH_f, kcal/mol:	-176.74
Dipole, Da:	4.99
IP(EA), eV:	-9.84(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)OC1C(=CC(=O)N1C)C(C)(C)C

DOS

IR

Vibrations