Geometry & MOs

Info

ID:	379478
PubChem CID:	134435037
Reduced:	FO3N6H23C25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-3.79
Dipole, Da:	5.39
IP(EA), eV:	-8.97(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-benzyl-1-methylpiperidin-4-yl)-3-hydroxy-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)(COC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N4CC(C4)OC5=NC=C(C=C5)F)O

DOS

IR

Vibrations