Geometry & MOs

Info

ID:	208235
PubChem CID:	80507308
Reduced:	ON3C10H23 (1)
Stoich.:	AB3C10D23 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	-48.37
Dipole, Da:	2.93
IP(EA), eV:	-8.3(1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCOCCN1CCN(CC1CN)C

DOS

IR

Vibrations