Geometry & MOs

Info

ID:	306048
PubChem CID:	125000914
Reduced:	N3O5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-126.48
Dipole, Da:	9.5
IP(EA), eV:	-9.39(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=O)C=C(N1)[C@H]2COCCN2C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations