Geometry & MOs

Info

ID:	73242
PubChem CID:	48417261
Reduced:	ON2H6C9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	60.66
Dipole, Da:	6.44
IP(EA), eV:	-9.15(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations