Geometry & MOs

Info

ID:	210456
PubChem CID:	80809693
Reduced:	NC2H3 (6)
Stoich.:	AB2C3 (6)
Weight, g/mol:	246.159295
ΔH_f, kcal/mol:	68.35
Dipole, Da:	2.22
IP(EA), eV:	-8.94(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=NC=CC(=N1)NCCN2C=CC=N2

DOS

IR

Vibrations