Geometry & MOs

Info

ID:	73328
PubChem CID:	48417440
Reduced:	O2N5C17H17 (1)
Stoich.:	A2B5C17D17 (1)
Weight, g/mol:	373.120861
ΔH_f, kcal/mol:	9.76
Dipole, Da:	0.29
IP(EA), eV:	-9.44(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations