Geometry & MOs

Info

ID:	258537
PubChem CID:	103154810
Reduced:	FO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	295.153206
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	5.4
IP(EA), eV:	-9.58(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C#N)NC(=O)CC(CN)OC

DOS

IR

Vibrations