Geometry & MOs

Info

ID:	346968
PubChem CID:	127271472
Reduced:	ON4C19H30 (1)
Stoich.:	AB4C19D30 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-57.86
Dipole, Da:	4.46
IP(EA), eV:	-9.05(0.61)
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-[2-(1,2,4-triazol-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CCC2CC(CCC2C1)NC(=O)N3CCC(CC3)C4=NC=CN4

DOS

IR

Vibrations