Geometry & MOs

Info

ID:	417237
PubChem CID:	135091757
Reduced:	SO4N6C26H32 (1)
Stoich.:	AB4C6D26E32 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	-84.86
Dipole, Da:	6.01
IP(EA), eV:	-9.43(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)CC4=CC=CS4

DOS

IR

Vibrations