Geometry & MOs

Info

ID:	358878
PubChem CID:	127296749
Reduced:	ON3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	301.215413
ΔH_f, kcal/mol:	-47.27
Dipole, Da:	4.77
IP(EA), eV:	-9.6(-0.31)
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-[(1S)-1-pyridin-3-ylethyl]urea

Drug info:

PubChemData

Smile

C[C@@H](C1=CN=CC=C1)NC(=O)NC2C3CC4CC(C3)CC2C4

DOS

IR

Vibrations