Geometry & MOs

Info

ID:	73245
PubChem CID:	48417268
Reduced:	O3N5H15C17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	337.117489
ΔH_f, kcal/mol:	-17.79
Dipole, Da:	3.96
IP(EA), eV:	-9.6(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations