Geometry & MOs

Info

ID:	210709
PubChem CID:	80843437
Reduced:	FO2N4C8H13 (1)
Stoich.:	AB2C4D8E13 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	-99.04
Dipole, Da:	2.08
IP(EA), eV:	-9.06(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-ethyl-4-N-[(2-ethylphenyl)methyl]pyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)NC(CO)CO)F

DOS

IR

Vibrations