Geometry & MOs

Info

ID:	305996
PubChem CID:	124999966
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	285.195346
ΔH_f, kcal/mol:	5.78
Dipole, Da:	4.74
IP(EA), eV:	-8.43(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[(3S)-piperidin-3-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CN3CCC(CC3)C4=CN=CC(=N4)NC5=CC=CC=N5

DOS

IR

Vibrations