Geometry & MOs

Info

ID:	346969
PubChem CID:	127271473
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	326.191818
ΔH_f, kcal/mol:	-31.65
Dipole, Da:	7.04
IP(EA), eV:	-9.93(0.23)
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-(difluoromethyl)imidazol-2-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CCC2CC(CCC2C1)NC(=O)NCCN3C=NC=N3

DOS

IR

Vibrations