Geometry & MOs

Info

ID:	416487
PubChem CID:	135089502
Reduced:	FON4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-35.32
Dipole, Da:	1.44
IP(EA), eV:	-8.44(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[[2-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)F)CN2CCCC3(C2)CCC4=CN=C(N=C34)N

DOS

IR

Vibrations