Geometry & MOs

Info

ID:	126854
PubChem CID:	50981631
Reduced:	O3N5C15H15 (1)
Stoich.:	A3B5C15D15 (1)
Weight, g/mol:	335.220892
ΔH_f, kcal/mol:	-20.46
Dipole, Da:	5.14
IP(EA), eV:	-8.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyanilino)-1-[4-(2-methoxyethyl)piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CC2=NNC(=O)N2C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations