Geometry & MOs

Info

ID:	420603
PubChem CID:	135114264
Reduced:	N3O5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	335.220892
ΔH_f, kcal/mol:	-126.78
Dipole, Da:	2.61
IP(EA), eV:	-9.22(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1COCCN1C2=NOC(=C2C(=O)NCCOCCO)C3=CC=CC=C3

DOS

IR

Vibrations