Geometry & MOs

Info

ID:	46676
PubChem CID:	10526161
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	419.176564
ΔH_f, kcal/mol:	-60.16
Dipole, Da:	1.47
IP(EA), eV:	-9.4(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CN=C3)O)N

DOS

IR

Vibrations