Geometry & MOs

Info

ID:	296365
PubChem CID:	117570217
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	173.141579
ΔH_f, kcal/mol:	2.42
Dipole, Da:	6.47
IP(EA), eV:	-8.86(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxypropylamino)pentan-2-one

Drug info:

PubChemData

Smile

CC(=O)CCNC1=CC=C(C=C1)C#N

DOS

IR

Vibrations