Geometry & MOs

Info

ID:	447709
PubChem CID:	135284952
Reduced:	O3N7C26H27 (1)
Stoich.:	A3B7C26D27 (1)
Weight, g/mol:	499.233188
ΔH_f, kcal/mol:	18.96
Dipole, Da:	7.62
IP(EA), eV:	-8.69(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylpiperazin-1-yl)-8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalene-1-carbaldehyde

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C2=NC=NC3=C2NC=N3)COC4=CC=CC5=C4C(=C(C=C5)N6CCN(CC6)C=O)C=O

DOS

IR

Vibrations