Geometry & MOs

Info

ID:	417116
PubChem CID:	135091396
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	402.206719
ΔH_f, kcal/mol:	-58.62
Dipole, Da:	3.68
IP(EA), eV:	-8.54(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC(=C2)OC)C(=O)N(CCN(C)C)CC3=C(NC=N3)C

DOS

IR

Vibrations