Geometry & MOs

Info

ID:	258689
PubChem CID:	103156412
Reduced:	BrN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	243.194677
ΔH_f, kcal/mol:	-150.99
Dipole, Da:	8.79
IP(EA), eV:	-9.54(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(1,2-dimethylpiperidin-4-yl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations