Geometry & MOs

Info

ID:	58528
PubChem CID:	24702250
Reduced:	N2O5C12H14 (1)
Stoich.:	A2B5C12D14 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-110.95
Dipole, Da:	7.75
IP(EA), eV:	-9.66(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclopentyl-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC1CC(N(C1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations