Geometry & MOs

Info

ID:	210714
PubChem CID:	80844803
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	-8.32
Dipole, Da:	3.92
IP(EA), eV:	-9.21(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=N1)OCC2=CC=CO2)N3CCCCC3

DOS

IR

Vibrations