Geometry & MOs

Info

ID:	297056
PubChem CID:	117607369
Reduced:	SO3N6C22H24 (1)
Stoich.:	AB3C6D22E24 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	2.44
Dipole, Da:	10.3
IP(EA), eV:	-9.19(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CN1CC2=C(S1(=O)=O)C=CC(=C2)NC3=C4C(=CC=NC4=O)N(N3)C5(CCCCC5)CC#N

DOS

IR

Vibrations