Geometry & MOs

Info

ID:	377881
PubChem CID:	134223946
Reduced:	ClN2O5C23H29 (1)
Stoich.:	AB2C5D23E29 (1)
Weight, g/mol:	270.219495
ΔH_f, kcal/mol:	-188.12
Dipole, Da:	14.46
IP(EA), eV:	-9.35(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-tert-butyl-5,5-dimethylcyclohexyl) 3-hydroxybutanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1CN(C2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)Cl)OCCCOC)C

DOS

IR

Vibrations