Geometry & MOs

Info

ID:	417883
PubChem CID:	135102963
Reduced:	N2O5C18H24 (1)
Stoich.:	A2B5C18D24 (1)
Weight, g/mol:	358.114042
ΔH_f, kcal/mol:	-189.43
Dipole, Da:	9.26
IP(EA), eV:	-9.32(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-[4-(trifluoromethoxy)benzoyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O

DOS

IR

Vibrations