Geometry & MOs

Info

ID:	15355
PubChem CID:	438651
Reduced:	N5O5C10H13 (1)
Stoich.:	A5B5C10D13 (1)
Weight, g/mol:	283.091669
ΔH_f, kcal/mol:	-152.09
Dipole, Da:	3.53
IP(EA), eV:	-9.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

azaniumylidene-[[10-(hydroxymethyl)-6-methyl-3,5-dioxo-8,11-dioxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-en-12-yl]imino]azanium

Drug info:

PubChemData

Smile

CC1=C2N(C3C(C(O2)C(O3)CO)N=[N+]=[NH2+])C(=O)NC1=O

DOS

IR

Vibrations