Geometry & MOs

Info

ID:	445830
PubChem CID:	135269692
Reduced:	N2O7C26H42 (1)
Stoich.:	A2B7C26D42 (1)
Weight, g/mol:	496.356597
ΔH_f, kcal/mol:	-347.03
Dipole, Da:	3.2
IP(EA), eV:	-9.64(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-2,6-dimethyl-4-[(4-methylphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

CC(COC)OC(=O)NC1CC2(CC(C1)(N(C2)C(=O)OCC3CCC(CC3)COC(=O)C=C)C)C

DOS

IR

Vibrations