Geometry & MOs

Info

ID:	371728
PubChem CID:	131271394
Reduced:	O3C4N5H9 (1)
Stoich.:	A3B4C5D9 (1)
Weight, g/mol:	189.053826
ΔH_f, kcal/mol:	-40.0
Dipole, Da:	4.73
IP(EA), eV:	-10.01(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C(=N\O)\C1NC(NC(=O)N1)NO

DOS

IR

Vibrations