Geometry & MOs

Info

ID:	209994
PubChem CID:	80748922
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	348.09496
ΔH_f, kcal/mol:	-85.65
Dipole, Da:	3.43
IP(EA), eV:	-8.59(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-bromo-2-methylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1)N)OCCOC2=CC=CC=C2

DOS

IR

Vibrations