Geometry & MOs

Info

ID:	441688
PubChem CID:	135240627
Reduced:	F5N6H19C20 (1)
Stoich.:	A5B6C19D20 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-162.83
Dipole, Da:	4.99
IP(EA), eV:	-9.21(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(dimethylamino)methyl]-4-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1(F)F)CC2=NC3=C(C=CC=N3)C(=N2)NCC4=C(N=CC=C4)C(F)(F)F

DOS

IR

Vibrations