Geometry & MOs

Info

ID:	187395
PubChem CID:	77568924
Reduced:	ON5C30H37 (1)
Stoich.:	AB5C30D37 (1)
Weight, g/mol:	539.315935
ΔH_f, kcal/mol:	28.92
Dipole, Da:	5.91
IP(EA), eV:	-8.56(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxy-4-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]butyl]carbamic acid

Drug info:

PubChemData

Smile

CC1CC(C2=C1C(=NC=N2)N3CC4(CCN(C4)CC5=CC=CC=C5)C6=C(C=CC=C63)CNC(C)C)O

DOS

IR

Vibrations