Geometry & MOs

Info

ID:	163349
PubChem CID:	57825666
Reduced:	N3C9H11 (1)
Stoich.:	A3B9C11 (1)
Weight, g/mol:	323.236148
ΔH_f, kcal/mol:	56.45
Dipole, Da:	3.15
IP(EA), eV:	-8.94(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[[4-(5-methylpyridin-3-yl)phenyl]methyl]piperazine

Drug info:

PubChemData

Smile

CNCC1=C2C=NNC2=CC=C1

DOS

IR

Vibrations