Geometry & MOs

Info

ID:	54559
PubChem CID:	17388891
Reduced:	NO6C25H27 (1)
Stoich.:	AB6C25D27 (1)
Weight, g/mol:	494.256943
ΔH_f, kcal/mol:	-167.48
Dipole, Da:	2.0
IP(EA), eV:	-8.52(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-diphenylmethanol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1O)CN(CCC2=CC=CC=C2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

DOS

IR

Vibrations