Geometry & MOs

Info

ID:	354315
PubChem CID:	127286441
Reduced:	ON3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	-57.44
Dipole, Da:	3.48
IP(EA), eV:	-9.55(-0.4)
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-[[3-(hydroxymethyl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)CNC(=O)NC2CCC3CCCCC3C2

DOS

IR

Vibrations