Geometry & MOs

Info

ID:	411290
PubChem CID:	135084103
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	170.105528
ΔH_f, kcal/mol:	-91.15
Dipole, Da:	4.77
IP(EA), eV:	-9.73(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[butyl(cyano)amino]acetate

Drug info:

PubChemData

Smile

COCC(CCC=O)(CC=C=C)COC

DOS

IR

Vibrations