Geometry & MOs

Info

ID:	345386
PubChem CID:	127269686
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-64.05
Dipole, Da:	3.41
IP(EA), eV:	-8.58(0.72)
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-(2-methoxyethyl)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=O)NC3=NN(C=C3)CCOC)C)C

DOS

IR

Vibrations