Geometry & MOs

Info

ID:	185988
PubChem CID:	77374929
Reduced:	O4N6C13H14 (1)
Stoich.:	A4B6C13D14 (1)
Weight, g/mol:	447.18122
ΔH_f, kcal/mol:	-51.51
Dipole, Da:	3.19
IP(EA), eV:	-9.92(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)C12C(=NC(=NC1=O)N)N(C=N2)C3CCC(O3)(CO)C#N

DOS

IR

Vibrations