Geometry & MOs

Info

ID:	417843
PubChem CID:	135102902
Reduced:	FN2O2C20H27 (1)
Stoich.:	AB2C2D20E27 (1)
Weight, g/mol:	378.179087
ΔH_f, kcal/mol:	-104.43
Dipole, Da:	4.57
IP(EA), eV:	-8.33(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)N2CCC2C3=CC=C(C=C3)F)N4CCOCC4

DOS

IR

Vibrations