Geometry & MOs

Info

ID:	292269
PubChem CID:	114781172
Reduced:	NCl2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	-140.99
Dipole, Da:	1.97
IP(EA), eV:	-9.41(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-7H-purin-2-amine

Drug info:

PubChemData

Smile

CC1(CN(CC(O1)CCl)C(=O)C2=CC(=C(C=C2)O)Cl)C

DOS

IR

Vibrations