Geometry & MOs

Info

ID:	432719
PubChem CID:	135172856
Reduced:	OF2N3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	427.247107
ΔH_f, kcal/mol:	-36.79
Dipole, Da:	3.21
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-hydroxy-2-[(5E)-6-methyl-1,4-dihydro-2,4-benzodiazocin-1-yl]ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone

Drug info:

PubChemData

Smile

C/C=C\C1=C(N=C(C=C1)NC(=O)C2=C(C=CC=C2F)F)N=C

DOS

IR

Vibrations