Geometry & MOs

Info

ID:	370722
PubChem CID:	127339985
Reduced:	OSN4C21H28 (1)
Stoich.:	ABC4D21E28 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	0.51
Dipole, Da:	3.77
IP(EA), eV:	-8.72(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CSC2=C(C=CC=N2)C(=O)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations