Geometry & MOs

Info

ID:	416493
PubChem CID:	135089508
Reduced:	ClFNO3C17H23 (1)
Stoich.:	ABCD3E17F23 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-191.47
Dipole, Da:	4.91
IP(EA), eV:	-8.88(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=C(C=CC(=C2F)C)Cl)C(=O)O

DOS

IR

Vibrations