Geometry & MOs

Info

ID:	258708
PubChem CID:	103156499
Reduced:	FO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	311.02694
ΔH_f, kcal/mol:	-86.57
Dipole, Da:	2.04
IP(EA), eV:	-9.28(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(4-bromo-2-cyanophenyl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=C(C=C(C=C1)F)C#N)CN

DOS

IR

Vibrations