Geometry & MOs

Info

ID:	54549
PubChem CID:	17388877
Reduced:	N2O7C21H30 (1)
Stoich.:	A2B7C21D30 (1)
Weight, g/mol:	466.1904
ΔH_f, kcal/mol:	-294.98
Dipole, Da:	4.77
IP(EA), eV:	-8.82(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-diphenylmethanol;oxalic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN2CCC(CC2)C(=O)NCC3CCCO3.C(=O)(C(=O)O)O

DOS

IR

Vibrations