Geometry & MOs

Info

ID:	145835
PubChem CID:	53600738
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-1.36
Dipole, Da:	4.67
IP(EA), eV:	-9.14(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethoxy]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NCC3CN(CCO3)C4CC4

DOS

IR

Vibrations