Geometry & MOs

Info

ID:	326870
PubChem CID:	126688451
Reduced:	F3N4O4C23H23 (1)
Stoich.:	A3B4C4D23E23 (1)
Weight, g/mol:	309.132471
ΔH_f, kcal/mol:	-256.4
Dipole, Da:	8.09
IP(EA), eV:	-8.86(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-hydroxybutan-2-ylamino)-3-nitrophenyl]-1,3-oxazinan-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1N3CCOCC3=O)N=C(N2CCCO)NC(=O)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations