Geometry & MOs

Info

ID:	352052
PubChem CID:	127283120
Reduced:	N2O5C19H28 (1)
Stoich.:	A2B5C19D28 (1)
Weight, g/mol:	310.225643
ΔH_f, kcal/mol:	-218.5
Dipole, Da:	9.13
IP(EA), eV:	-8.41(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-[(4-hydroxyoxan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)NCC3(CCOCC3)O

DOS

IR

Vibrations