Geometry & MOs

Info

ID:	184402
PubChem CID:	77156056
Reduced:	N3O4H29C32 (1)
Stoich.:	A3B4C29D32 (1)
Weight, g/mol:	884.393495
ΔH_f, kcal/mol:	-69.03
Dipole, Da:	10.26
IP(EA), eV:	-8.92(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC(=N2)C3=CN=CC=C3)C(=C1C(C(=O)O)OC(C)(C)C)C4=C5C6=C(C=C4)OCCC6=CC=N5

DOS

IR

Vibrations