Geometry & MOs

Info

ID:	227483
PubChem CID:	87561832
Reduced:	O3C26H42 (1)
Stoich.:	A3B26C42 (1)
Weight, g/mol:	501.285223
ΔH_f, kcal/mol:	-129.81
Dipole, Da:	2.69
IP(EA), eV:	-9.36(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-methylcyclopropane-1-carbaldehyde

Drug info:

PubChemData

Smile

CC/C=C\C/C=C/C/C=C/C/C=C/C/C=C/CCOC(CC)C(=O)OC(C)(C)C

DOS

IR

Vibrations