Geometry & MOs

Info

ID:	367990
PubChem CID:	127326281
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	11.62
Dipole, Da:	4.01
IP(EA), eV:	-9.37(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)S(=O)(=O)N(CC3CC3)CC4CC4)C

DOS

IR

Vibrations