Geometry & MOs

Info

ID:	73232
PubChem CID:	48417246
Reduced:	O2H6N6C9 (1)
Stoich.:	A2B6C6D9 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	47.31
Dipole, Da:	2.46
IP(EA), eV:	-9.64(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-phenylbutanoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=O)NN=C1C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations