Geometry & MOs

Info

ID:	180294
PubChem CID:	76609570
Reduced:	NO5C30H35 (1)
Stoich.:	AB5C30D35 (1)
Weight, g/mol:	254.22458
ΔH_f, kcal/mol:	-128.47
Dipole, Da:	5.81
IP(EA), eV:	-9.83(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methyl-2,3-di(propan-2-yl)cyclopentyl] butanoate

Drug info:

PubChemData

Smile

CC1(CC(CC1C=CC2CC(C(C2)C=C)CN3C(=O)C4=CC=CC=C4C3=O)C=C)C(=O)OCC5CO5

DOS

IR

Vibrations