Geometry & MOs

Info

ID:	191740
PubChem CID:	78183143
Reduced:	N5O5C10H14 (1)
Stoich.:	A5B5C10D14 (1)
Weight, g/mol:	284.099494
ΔH_f, kcal/mol:	-131.69
Dipole, Da:	1.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.787125
Charge, e:	1

Chem-info

IUPAC name:

[4-(hydroxymethyl)-9-methyl-10,12-dioxo-3,7-dioxa-1,11-diazatricyclo[6.4.0.02,6]dodecan-5-yl]imino-iminoazanium

Drug info:

PubChemData

Smile

CC1C2N(C3C(C(O2)C(O3)CO)N=[N+]=N)C(=O)NC1=O

DOS

IR

Vibrations