Geometry & MOs

Info

ID:	448836
PubChem CID:	135293917
Reduced:	ON2C9H14 (1)
Stoich.:	AB2C9D14 (1)
Weight, g/mol:	512.301208
ΔH_f, kcal/mol:	60.55
Dipole, Da:	4.66
IP(EA), eV:	-8.24(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[4-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]piperazin-1-yl]propan-1-imine

Drug info:

PubChemData

Smile

CN(C)/C(=C/C=C/CN=O)/C=C

DOS

IR

Vibrations