Geometry & MOs

Info

ID:	210424
PubChem CID:	80804511
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	3.51
Dipole, Da:	5.08
IP(EA), eV:	-8.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-ethoxyphenyl)-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CN(C)CC1CCN(CC1)C2=CC=CC(=C2[N+](=O)[O-])N

DOS

IR

Vibrations