Geometry & MOs

Info

ID:	73301
PubChem CID:	48417396
Reduced:	O4N5H15C18 (1)
Stoich.:	A4B5C15D18 (1)
Weight, g/mol:	401.115775
ΔH_f, kcal/mol:	-50.18
Dipole, Da:	3.73
IP(EA), eV:	-9.55(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]-5-aminopyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations