Geometry & MOs

Info

ID:	436977
PubChem CID:	135213437
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	292.107575
ΔH_f, kcal/mol:	-12.9
Dipole, Da:	5.05
IP(EA), eV:	-8.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-5-(5-bicyclo[2.1.0]pentanyl)-3-methoxyoxolan-2-yl]methyl methyl hydrogen phosphate

Drug info:

PubChemData

Smile

CC(=O)C/1CC(CN(C/C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=NC=C3)N)N

DOS

IR

Vibrations