Geometry & MOs

Info

ID:	85135
PubChem CID:	49872030
Reduced:	FON5H12C16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	341.108816
ΔH_f, kcal/mol:	74.12
Dipole, Da:	6.36
IP(EA), eV:	-9.15(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(difluoromethyl)-3-methyl-4-(3-methyl-2H-indazol-5-yl)-2,4-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(C(=C(N=C2ON1)C)C#N)C3=C(C=C4C(=C3)C=NN4)F

DOS

IR

Vibrations