Geometry & MOs

Info

ID:	258750
PubChem CID:	103156783
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	260.072784
ΔH_f, kcal/mol:	-84.94
Dipole, Da:	2.66
IP(EA), eV:	-9.0(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-chloro-6-fluorophenyl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(COC2=CC(=C(C=C2)Br)CN)O

DOS

IR

Vibrations