Geometry & MOs

Info

ID:	258514
PubChem CID:	103154629
Reduced:	ClN3O4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-154.31
Dipole, Da:	5.23
IP(EA), eV:	-8.6(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2,2-dimethyl-1-phenylpropyl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=C(C=C2C(=C1)OCC(=O)N2)Cl)CN

DOS

IR

Vibrations