Geometry & MOs

Info

ID:	287478
PubChem CID:	104243262
Reduced:	BrN3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	383.06069
ΔH_f, kcal/mol:	9.14
Dipole, Da:	1.55
IP(EA), eV:	-9.26(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopentyl-5-iodo-N-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)N)Br)C2CCCC2

DOS

IR

Vibrations