Geometry & MOs

Info

ID:	45550
PubChem CID:	10514793
Reduced:	ClNOC14H16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	249.103275
ΔH_f, kcal/mol:	-23.41
Dipole, Da:	3.03
IP(EA), eV:	-9.41(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-cyclohexyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

C1CCC(C1)CCC2=NC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations