Geometry & MOs

Info

ID:	196844
PubChem CID:	78885157
Reduced:	BrClN2O3C16H18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	-90.78
Dipole, Da:	4.54
IP(EA), eV:	-8.28(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-ethoxyphenyl)methyl]-4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=C1C(=O)NC2=CC(=C(C=C2OC)OC)Cl)Br

DOS

IR

Vibrations