Geometry & MOs

Info

ID:	443266
PubChem CID:	135258330
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	247.204848
ΔH_f, kcal/mol:	-3.71
Dipole, Da:	2.4
IP(EA), eV:	-8.18(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylaniline

Drug info:

PubChemData

Smile

CCCNC1=CC2=C(C=C1)OC=C2

DOS

IR

Vibrations