Geometry & MOs

Info

ID:	171705
PubChem CID:	75415287
Reduced:	NC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	69.56
Dipole, Da:	2.45
IP(EA), eV:	-8.04(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(adamantane-1-carbonylamino)-3-[(2-methoxypyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC2=C1N=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations