Geometry & MOs

Info

ID:	179742
PubChem CID:	76525073
Reduced:	ON3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	472.202302
ΔH_f, kcal/mol:	106.63
Dipole, Da:	6.9
IP(EA), eV:	-9.11(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-yl]-3,8-diazabicyclo[4.2.0]octan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCC4CN(C4C3)C5=NOC6=C5C=CC(=C6)C

DOS

IR

Vibrations