Geometry & MOs

Info

ID:	420973
PubChem CID:	135115143
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	336.148535
ΔH_f, kcal/mol:	4.9
Dipole, Da:	2.25
IP(EA), eV:	-9.45(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CN2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations