Geometry & MOs

Info

ID:	416599
PubChem CID:	135089799
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	314.124212
ΔH_f, kcal/mol:	-13.87
Dipole, Da:	5.68
IP(EA), eV:	-9.29(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[[2-(trifluoromethyl)phenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C1CC1N2C=CC=C2C(=O)N3C[C@H]([C@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations