Geometry & MOs

Info

ID:	416164
PubChem CID:	135089172
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-93.31
Dipole, Da:	2.52
IP(EA), eV:	-9.62(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(CC2=O)C3=NOC(=C3C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations