Geometry & MOs

Info

ID:	177433
PubChem CID:	76185187
Reduced:	BrN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	430.344695
ΔH_f, kcal/mol:	-164.9
Dipole, Da:	8.05
IP(EA), eV:	-9.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-ethyl-2-methyl-3-(6-methylheptan-2-yl)cyclopentyl]-4-hydroxy-4a-methyl-6,7,8,8a-tetrahydro-5H-naphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2C(=NC(=O)C(=C2O)Br)CC1

DOS

IR

Vibrations