Geometry & MOs

Info

ID:	419086
PubChem CID:	135107456
Reduced:	N3O4C15H19 (1)
Stoich.:	A3B4C15D19 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-135.08
Dipole, Da:	2.7
IP(EA), eV:	-9.89(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1COC(=O)N1CC(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations