Geometry & MOs

Info

ID:	186736
PubChem CID:	77476437
Reduced:	ClFN3O4C32H35 (1)
Stoich.:	ABC3D4E32F35 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-175.75
Dipole, Da:	5.35
IP(EA), eV:	-9.19(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]-N-methyl-2-pyridin-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(CCO)OC1=CC=CC=C1C2=CC(=C(C=C2)C(=O)N3CCC(CC3)N4C5=C(CC(C4=O)(C)C)N=CC(=C5)Cl)F

DOS

IR

Vibrations