Geometry & MOs

Info

ID:	370045
PubChem CID:	127337273
Reduced:	ON3C9H13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	322.225643
ΔH_f, kcal/mol:	-23.6
Dipole, Da:	4.62
IP(EA), eV:	-8.97(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-adamantyl)-3-[2-hydroxy-2-(oxan-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1COCCC1CN2CCN(CC2)C(=O)NCC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations