Geometry & MOs

Info

ID:	73020
PubChem CID:	48416816
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	344.102174
ΔH_f, kcal/mol:	6.27
Dipole, Da:	5.32
IP(EA), eV:	-8.88(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2C(=C(C=N2)C#N)N)OC

DOS

IR

Vibrations