Geometry & MOs

Info

ID:	210554
PubChem CID:	80822547
Reduced:	O3N4C14H14 (1)
Stoich.:	A3B4C14D14 (1)
Weight, g/mol:	242.129824
ΔH_f, kcal/mol:	4.57
Dipole, Da:	7.67
IP(EA), eV:	-9.08(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CNC1=NC(=C(C=C1)[N+](=O)[O-])NC2COC3=CC=CC=C23

DOS

IR

Vibrations