Geometry & MOs

Info

ID:	73203
PubChem CID:	48417195
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	284.127326
ΔH_f, kcal/mol:	-12.36
Dipole, Da:	4.45
IP(EA), eV:	-8.69(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(3-methylphenoxy)butanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations