Geometry & MOs

Info

ID:	423692
PubChem CID:	135120027
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-11.97
Dipole, Da:	2.18
IP(EA), eV:	-9.32(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-7-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)C(=O)N3C[C@H]([C@@H](C3)O)CC4=NC5=CC=CC=C5C=C4

DOS

IR

Vibrations