Geometry & MOs

Info

ID:	258649
PubChem CID:	103155962
Reduced:	BrN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-151.32
Dipole, Da:	7.71
IP(EA), eV:	-9.67(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-hydroxyphenyl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=C(C=C(C=C1)C(=O)O)Br)CN

DOS

IR

Vibrations