Geometry & MOs

Info

ID:	291499
PubChem CID:	112884598
Reduced:	ClON4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	31.58
Dipole, Da:	1.55
IP(EA), eV:	-8.29(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclohexyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=NC=C2)NC3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations