Geometry & MOs

Info

ID:	258707
PubChem CID:	103156491
Reduced:	N2O4C11H22 (1)
Stoich.:	A2B4C11D22 (1)
Weight, g/mol:	251.107005
ΔH_f, kcal/mol:	-199.62
Dipole, Da:	6.89
IP(EA), eV:	-9.57(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-cyano-4-fluorophenyl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

CCC(C)(CNC(=O)CC(CN)OC)C(=O)O

DOS

IR

Vibrations