Geometry & MOs

Info

ID:	210446
PubChem CID:	80808786
Reduced:	ON5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	218.127994
ΔH_f, kcal/mol:	-20.82
Dipole, Da:	3.16
IP(EA), eV:	-9.02(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC(=O)CN(C)C1=NC=NC(=C1C)NC

DOS

IR

Vibrations