Geometry & MOs

Info

ID:	416532
PubChem CID:	135089583
Reduced:	FON4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	378.1591
ΔH_f, kcal/mol:	-8.64
Dipole, Da:	6.03
IP(EA), eV:	-9.23(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)CC2=NC3=C(C=CC=C3F)C=C2

DOS

IR

Vibrations