Geometry & MOs

Info

ID:	128755
PubChem CID:	51057184
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	412.1765
ΔH_f, kcal/mol:	-114.21
Dipole, Da:	3.55
IP(EA), eV:	-9.42(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-phenylmethoxyphenyl)acetic acid;1-methylpiperazine;dihydrate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC2(C(=O)NC(=O)N2)C

DOS

IR

Vibrations