Geometry & MOs

Info

ID:	258452
PubChem CID:	103154136
Reduced:	N2F3O3C12H15 (1)
Stoich.:	A2B3C3D12E15 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	-271.39
Dipole, Da:	1.04
IP(EA), eV:	-9.28(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N,N-bis(cyanomethyl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC=CC=C1OC(F)(F)F)CN

DOS

IR

Vibrations