Geometry & MOs

Info

ID:	73046
PubChem CID:	48416874
Reduced:	FO2N4H13C14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	274.062139
ΔH_f, kcal/mol:	-33.83
Dipole, Da:	4.57
IP(EA), eV:	-9.06(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(4-chlorophenyl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)N2C(=C(C=N2)C#N)N)F

DOS

IR

Vibrations