Geometry & MOs

Info

ID:	258553
PubChem CID:	103154918
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	280.178693
ΔH_f, kcal/mol:	-73.67
Dipole, Da:	6.44
IP(EA), eV:	-8.71(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-[3-(2-methylpropoxy)phenyl]butanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC=C(C=C1)C2=CN=CO2)CN

DOS

IR

Vibrations