Geometry & MOs

Info

ID:	210807
PubChem CID:	80857295
Reduced:	N7C12H19 (1)
Stoich.:	A7B12C19 (1)
Weight, g/mol:	280.120322
ΔH_f, kcal/mol:	64.21
Dipole, Da:	5.47
IP(EA), eV:	-8.74(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)N(C)C)N2C=NC(=C2C)C

DOS

IR

Vibrations