Geometry & MOs

Info

ID:	417468
PubChem CID:	135095124
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-0.61
Dipole, Da:	1.08
IP(EA), eV:	-8.44(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=NC=CC(=C2C=C1)N3C[C@H]([C@H](C3)O)CC4=CC(=NO4)C)C

DOS

IR

Vibrations