Geometry & MOs

Info

ID:	217218
PubChem CID:	85087450
Reduced:	ClO2N5C15H26 (1)
Stoich.:	AB2C5D15E26 (1)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	-90.11
Dipole, Da:	2.87
IP(EA), eV:	-9.5(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[N-(carbamoylamino)-C-methylcarbonimidoyl]-3-cyano-4-oxo-3-phenylpentanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC2CC(CCC2CN1)CCC3=NNN=N3.Cl

DOS

IR

Vibrations