Geometry & MOs

Info

ID:	135648
PubChem CID:	51909601
Reduced:	Cl2N2O7C22H24 (1)
Stoich.:	A2B2C7D22E24 (1)
Weight, g/mol:	373.216555
ΔH_f, kcal/mol:	-296.31
Dipole, Da:	6.89
IP(EA), eV:	-9.48(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[(6-methylpyridin-2-yl)methyl]piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)OCC(=O)N[C@H](C)C2=C(C=C(C=C2)Cl)Cl)C(=O)OC

DOS

IR

Vibrations