Geometry & MOs

Info

ID:	231607
PubChem CID:	87574300
Reduced:	ClO2N5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	660.295379
ΔH_f, kcal/mol:	14.94
Dipole, Da:	3.03
IP(EA), eV:	-8.32(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C3=NC(=NC(=N3)NCC4=CC=CC=C4)Cl)OC

DOS

IR

Vibrations