Geometry & MOs

Info

ID:	424589
PubChem CID:	135123249
Reduced:	ION2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	521.300205
ΔH_f, kcal/mol:	49.62
Dipole, Da:	4.31
IP(EA), eV:	-8.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-[[(2R)-2-ethyl-7-methyl-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-yl]methyl]-4-methylphenyl]-2,2-dimethyl-3-[(1-methyltriazol-4-yl)methoxy]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC(=NN1C2=CC=CC=C2)I

DOS

IR

Vibrations