Geometry & MOs

Info

ID:	417367
PubChem CID:	135092742
Reduced:	FN3O4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-148.03
Dipole, Da:	6.31
IP(EA), eV:	-9.0(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations