Geometry & MOs

Info

ID:	183766
PubChem CID:	77067342
Reduced:	ON2C10H20 (1)
Stoich.:	AB2C10D20 (1)
Weight, g/mol:	278.088929
ΔH_f, kcal/mol:	-39.06
Dipole, Da:	2.52
IP(EA), eV:	-8.8(1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(1,3-dimethyl-2,6-dioxopurin-3-ium-8-yl)amino]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C(=NO)N

DOS

IR

Vibrations