Geometry & MOs

Info

ID:	129979
PubChem CID:	51074463
Reduced:	F2N2O3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	308.209993
ΔH_f, kcal/mol:	-176.18
Dipole, Da:	2.38
IP(EA), eV:	-9.53(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NOC)NC(=O)C1=C(C=CC=C1F)F

DOS

IR

Vibrations