Geometry & MOs

Info

ID:	230153
PubChem CID:	87570309
Reduced:	O3N5H15C16 (1)
Stoich.:	A3B5C15D16 (1)
Weight, g/mol:	250.214684
ΔH_f, kcal/mol:	-4.29
Dipole, Da:	3.11
IP(EA), eV:	-8.8(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC1=NC(=NC2=NC=C(N=C21)C3=C(C=CC(=C3)C=O)OC)N

DOS

IR

Vibrations