Geometry & MOs

Info

ID:	169093
PubChem CID:	75062832
Reduced:	ClNO5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	371.02292
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	30.98
IP(EA), eV:	-6.75(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2,4-dioxo-1,3-diazinan-5-yl)amino]-2-oxoethyl]pyridin-1-ium-4-carboxamide;bromide

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3CCC[NH2+]3)OC4=CC=CC=C4.[Cl-]

DOS

IR

Vibrations