Geometry & MOs

Info

ID:	445787
PubChem CID:	135269540
Reduced:	O3N5C30H45 (1)
Stoich.:	A3B5C30D45 (1)
Weight, g/mol:	309.220498
ΔH_f, kcal/mol:	-70.56
Dipole, Da:	6.66
IP(EA), eV:	-8.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[(4-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperazine

Drug info:

PubChemData

Smile

C[C@H]1CN(CC(N1CC2=CC=CC(=C2)CN3CCN(CC3)CC(C)(C)O)C)CC4=CC=C(C=C4)C(=O)NO

DOS

IR

Vibrations