Geometry & MOs

Info

ID:	210455
PubChem CID:	80809692
Reduced:	ClN7C10H14 (1)
Stoich.:	AB7C10D14 (1)
Weight, g/mol:	246.159295
ΔH_f, kcal/mol:	80.42
Dipole, Da:	3.56
IP(EA), eV:	-9.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(CN1C=CC=N1)NC2=NC(=NC(=N2)NC)Cl

DOS

IR

Vibrations