Geometry & MOs

Info

ID:	290755
PubChem CID:	110018435
Reduced:	FION5C19H27 (1)
Stoich.:	ABCD5E19F27 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-30.25
Dipole, Da:	8.3
IP(EA), eV:	-8.18(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2,3-dimethylpentanamide

Drug info:

PubChemData

Smile

C1CC1N2CC(CC2=O)CN=C(N)N3CCN(CC3)C4=CC=C(C=C4)F.I

DOS

IR

Vibrations