Geometry & MOs

Info

ID:	162589
PubChem CID:	57395158
Reduced:	O2N3H23C25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	416.246378
ΔH_f, kcal/mol:	34.04
Dipole, Da:	3.44
IP(EA), eV:	-9.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-phenoxyphenyl)methyl]-4-[(4-propan-2-yloxyphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations