Geometry & MOs

Info

ID:	73372
PubChem CID:	48417546
Reduced:	O2N5C10H11 (1)
Stoich.:	A2B5C10D11 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	9.32
Dipole, Da:	6.05
IP(EA), eV:	-9.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC1C(=O)NCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations