Geometry & MOs

Info

ID:	20512
PubChem CID:	584400
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-37.14
Dipole, Da:	1.72
IP(EA), eV:	-8.27(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(methylamino)phenyl]pentan-1-one

Drug info:

PubChemData

Smile

CCCCC(=O)C1=CC=CC=C1NC

DOS

IR

Vibrations