Geometry & MOs

Info

ID:	445827
PubChem CID:	135269689
Reduced:	ON4C28H40 (1)
Stoich.:	AB4C28D40 (1)
Weight, g/mol:	458.249333
ΔH_f, kcal/mol:	5.56
Dipole, Da:	4.46
IP(EA), eV:	-8.25(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=CC(=CC=C2)CN3C(CN(CC3C)CC4=CC=C(C=C4)C=O)C

DOS

IR

Vibrations