Geometry & MOs

Info

ID:	208216
PubChem CID:	80504273
Reduced:	ON3C12H25 (1)
Stoich.:	AB3C12D25 (1)
Weight, g/mol:	283.108754
ΔH_f, kcal/mol:	-53.17
Dipole, Da:	3.34
IP(EA), eV:	-8.17(2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(3-chloro-4-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CN)CC2CCCOC2

DOS

IR

Vibrations