Geometry & MOs

Info

ID:	422643
PubChem CID:	135118181
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-70.86
Dipole, Da:	4.65
IP(EA), eV:	-9.18(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methoxy-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NO2)CN3CC[C@]([C@H](C3)O)(CC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations