Geometry & MOs

Info

ID:	145836
PubChem CID:	53600796
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	278.210661
ΔH_f, kcal/mol:	-30.45
Dipole, Da:	3.19
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]pentanedinitrile

Drug info:

PubChemData

Smile

CC1CN(CCN1CCOC)CCOC2=CC=CC(=C2)C#N

DOS

IR

Vibrations