Geometry & MOs

Info

ID:	227948
PubChem CID:	87563109
Reduced:	ClN3O3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	245.089937
ΔH_f, kcal/mol:	-79.0
Dipole, Da:	1.63
IP(EA), eV:	-9.09(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl carbamate;2-methyl-4-methylidenepent-2-enedioic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=NC(=C1)Cl)N2CC(C2)N3CCOCC3

DOS

IR

Vibrations