Geometry & MOs

Info

ID:	445815
PubChem CID:	135269657
Reduced:	FO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-56.33
Dipole, Da:	4.58
IP(EA), eV:	-8.89(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-4-[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC(=CC=C2)F)C)CC3=CC=C(C=C3)C(=O)NO

DOS

IR

Vibrations