Geometry & MOs

Info

ID:	421256
PubChem CID:	135115654
Reduced:	N2O2C11H16 (3)
Stoich.:	A2B2C11D16 (3)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-276.9
Dipole, Da:	7.78
IP(EA), eV:	-9.36(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)CCCN3CCCCC3=O)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations