Geometry & MOs

Info

ID:	218565
PubChem CID:	85089626
Reduced:	N4O5C25H44 (1)
Stoich.:	A4B5C25D44 (1)
Weight, g/mol:	480.32396
ΔH_f, kcal/mol:	-270.02
Dipole, Da:	3.23
IP(EA), eV:	-9.77(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 7a-methyl-1-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,5,6,7-hexahydroindene-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CC2=CC=NN2)NC(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations