Geometry & MOs

Info

ID:	338182
PubChem CID:	127258874
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	509.098841
ΔH_f, kcal/mol:	-113.34
Dipole, Da:	3.56
IP(EA), eV:	-9.34(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C(=O)C)N)C(=O)OC

DOS

IR

Vibrations