Geometry & MOs

Info

ID:	370701
PubChem CID:	127339893
Reduced:	OSN6C17H20 (1)
Stoich.:	ABC6D17E20 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	69.0
Dipole, Da:	3.1
IP(EA), eV:	-9.2(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)N3CCC(CC3)C4=CC=NN4C

DOS

IR

Vibrations