Geometry & MOs

Info

ID:	287459
PubChem CID:	104242732
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	287.118925
ΔH_f, kcal/mol:	-38.96
Dipole, Da:	1.91
IP(EA), eV:	-9.28(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)methyl]-6-cyclopentylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(CCCCO1)C2=NC(=CC(=N2)N)C3CCCC3

DOS

IR

Vibrations