Geometry & MOs

Info

ID:	58473
PubChem CID:	24701977
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	274.0117
ΔH_f, kcal/mol:	-98.71
Dipole, Da:	6.94
IP(EA), eV:	-10.22(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(4-bromo-2-fluorophenyl)butanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)O)NC(=O)C2=NC=CN=C2

DOS

IR

Vibrations