Geometry & MOs

Info

ID:	73043
PubChem CID:	48416871
Reduced:	O2N5H7C10 (1)
Stoich.:	A2B5C7D10 (1)
Weight, g/mol:	385.120861
ΔH_f, kcal/mol:	21.55
Dipole, Da:	7.86
IP(EA), eV:	-9.27(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CNC(=O)C(=C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations