Geometry & MOs

Info

ID:	314585
PubChem CID:	126622306
Reduced:	N2C19H20 (1)
Stoich.:	A2B19C20 (1)
Weight, g/mol:	555.06301
ΔH_f, kcal/mol:	81.96
Dipole, Da:	5.56
IP(EA), eV:	-9.11(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-4-yl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)pyridin-2-yl]purin-6-amine

Drug info:

PubChemData

Smile

CCCC#CC1=C(C2=CC=CC=C2N=C1)CCCCC#N

DOS

IR

Vibrations