Geometry & MOs

Info

ID:	53419
PubChem CID:	14714953
Reduced:	N3O5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	517.997661
ΔH_f, kcal/mol:	-136.12
Dipole, Da:	3.27
IP(EA), eV:	-8.75(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1C(C2=CC(=C(C=C2)O)OC)C(C(=O)O)N)C3=CC=CC=C3

DOS

IR

Vibrations