Geometry & MOs

Info

ID:	236910
PubChem CID:	92715821
Reduced:	FO2N3H24C26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	-44.58
Dipole, Da:	2.45
IP(EA), eV:	-8.65(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3R)-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)[C@H]3CC4=CC=CC=C4N3C(=O)C5=CC=CC=C5

DOS

IR

Vibrations