Geometry & MOs

Info

ID:	419741
PubChem CID:	135108928
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	279.125073
ΔH_f, kcal/mol:	-51.05
Dipole, Da:	6.23
IP(EA), eV:	-9.19(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)C3=CC4=C(C=C3)N=CN4

DOS

IR

Vibrations