Geometry & MOs

Info

ID:	234589
PubChem CID:	92303122
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	223.095691
ΔH_f, kcal/mol:	-100.09
Dipole, Da:	4.58
IP(EA), eV:	-9.54(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-acetamido-2,4-dicyanobutanoate

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H](C)C12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations