Geometry & MOs

Info

ID:	417434
PubChem CID:	135093927
Reduced:	FN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	372.129692
ΔH_f, kcal/mol:	-103.34
Dipole, Da:	4.76
IP(EA), eV:	-8.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=C(ON=C1N(C)C)C2=CC(=C(C=C2)F)OC

DOS

IR

Vibrations