Geometry & MOs

Info

ID:	354314
PubChem CID:	127286440
Reduced:	OSN3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	301.215413
ΔH_f, kcal/mol:	-56.8
Dipole, Da:	4.95
IP(EA), eV:	-9.3(-0.56)
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-methylpyridin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)NC2CCC3CCCCC3C2

DOS

IR

Vibrations