Geometry & MOs

Info

ID:	287465
PubChem CID:	104242814
Reduced:	SN3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	331.06841
ΔH_f, kcal/mol:	-7.12
Dipole, Da:	3.12
IP(EA), eV:	-8.44(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)SCC2=NC(=CC(=N2)N)C3CCCC3

DOS

IR

Vibrations