Geometry & MOs

Info

ID:	421277
PubChem CID:	135115683
Reduced:	N3O3C16H22 (2)
Stoich.:	A3B3C16D22 (2)
Weight, g/mol:	372.129692
ΔH_f, kcal/mol:	-222.41
Dipole, Da:	3.61
IP(EA), eV:	-9.47(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-[2-(3,4,5-trifluorophenyl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

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)CCC3=C(ON=C3C)C)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations