Geometry & MOs

Info

ID:	445810
PubChem CID:	135269637
Reduced:	N2O9C44H66 (1)
Stoich.:	A2B9C44D66 (1)
Weight, g/mol:	373.251798
ΔH_f, kcal/mol:	-431.19
Dipole, Da:	4.51
IP(EA), eV:	-8.66(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[(4-methylphenyl)methyl]-1-[(3-pyrrol-1-ylphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

CCCCCCCCCC1=CC=C(C=C1)OCC(COC(=O)C(=C)C)OC(=O)NC2CC3(CC(C2)(N(C3)C(=O)OCC4CCC(CC4)COC(=O)C=C)C)C

DOS

IR

Vibrations