Geometry & MOs

Info

ID:	154368
PubChem CID:	56313785
Reduced:	F2O2N4C21H22 (1)
Stoich.:	A2B2C4D21E22 (1)
Weight, g/mol:	384.184921
ΔH_f, kcal/mol:	-106.92
Dipole, Da:	4.76
IP(EA), eV:	-8.89(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=NN(C(C1)C(=O)N)C2=CC=C(C=C2)F)C3=CC=CC=C3F

DOS

IR

Vibrations