Geometry & MOs

Info

ID:	363347
PubChem CID:	127310876
Reduced:	OSN7C15H17 (1)
Stoich.:	ABC7D15E17 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	84.11
Dipole, Da:	4.36
IP(EA), eV:	-9.29(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations