Geometry & MOs

Info

ID:	152706
PubChem CID:	56311746
Reduced:	N4O4C23H34 (1)
Stoich.:	A4B4C23D34 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-177.48
Dipole, Da:	6.01
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3CCN(CC3)C(=O)C

DOS

IR

Vibrations