Geometry & MOs

Info

ID:	141871
PubChem CID:	52943599
Reduced:	O2N4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	896.564978
ΔH_f, kcal/mol:	15.58
Dipole, Da:	2.39
IP(EA), eV:	-9.11(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)C3=CC=CC=C3)N)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations