Geometry & MOs

Info

ID:	448851
PubChem CID:	135294040
Reduced:	O4N5C27H31 (1)
Stoich.:	A4B5C27D31 (1)
Weight, g/mol:	475.221954
ΔH_f, kcal/mol:	-82.0
Dipole, Da:	3.48
IP(EA), eV:	-8.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[6-[(2R)-2-[(7-hydroxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7,8-dihydropurin-9-yl]ethyl]oxolan-2-one

Drug info:

PubChemData

Smile

CC[C@H](COC1=CC=CC2=C1C=C(C=C2)O)N(CC)C3=NC=NC4=C3N=CN4CCC5CCOC5=O

DOS

IR

Vibrations