Geometry & MOs

Info

ID:	191702
PubChem CID:	78179545
Reduced:	N4O7C11H18 (1)
Stoich.:	A4B7C11D18 (1)
Weight, g/mol:	263.089263
ΔH_f, kcal/mol:	-293.93
Dipole, Da:	6.59
IP(EA), eV:	-9.57(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)methylideneamino]-2-cyanoacetamide

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1N2C(=O)NC(=O)CN2)CO)O)O

DOS

IR

Vibrations