Geometry & MOs

Info

ID:	196841
PubChem CID:	78885076
Reduced:	BrON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-30.68
Dipole, Da:	2.99
IP(EA), eV:	-8.87(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylcyclohexyl) 2-(oxolan-2-yl)acetate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)Br)C(=O)N2CCCN(CC2)C

DOS

IR

Vibrations