Geometry & MOs

Info

ID:	185185
PubChem CID:	77267228
Reduced:	ON7C30H35 (1)
Stoich.:	AB7C30D35 (1)
Weight, g/mol:	271.116821
ΔH_f, kcal/mol:	69.69
Dipole, Da:	9.56
IP(EA), eV:	-8.77(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCC1=CC=CN2C1=NC=C2C3=NC(=NC=C3C#N)NC(C)C4=CC=C(C=C4)C(C5CCN(CC5)CC)O

DOS

IR

Vibrations