Geometry & MOs

Info

ID:	354077
PubChem CID:	127285876
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	20.99
Dipole, Da:	3.79
IP(EA), eV:	-8.54(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC2=CC(=NN2)NC(=O)C3=NNC4=C3CCC4

DOS

IR

Vibrations