Geometry & MOs

Info

ID:	321464
PubChem CID:	126666091
Reduced:	FO2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	323.088161
ΔH_f, kcal/mol:	-23.16
Dipole, Da:	1.53
IP(EA), eV:	-9.5(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C)CC3=CC=CC=C3F

DOS

IR

Vibrations