Geometry & MOs

Info

ID:	288978
PubChem CID:	104329471
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-13.01
Dipole, Da:	6.12
IP(EA), eV:	-8.52(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylpiperazin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone

Drug info:

PubChemData

Smile

CCCNC1=CC(=C(C=C1)C(=O)NC2=CC=CC(=N2)C)C

DOS

IR

Vibrations