Geometry & MOs

Info

ID:	354320
PubChem CID:	127286446
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	294.230728
ΔH_f, kcal/mol:	-130.19
Dipole, Da:	6.71
IP(EA), eV:	-9.6(0.87)
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-[(1-hydroxycyclopentyl)methyl]urea

Drug info:

PubChemData

Smile

C1CCC2CC(CCC2C1)NC(=O)N3CCC(=O)NCC3

DOS

IR

Vibrations