Geometry & MOs

Info

ID:	216019
PubChem CID:	85085589
Reduced:	N2O3C10H18 (1)
Stoich.:	A2B3C10D18 (1)
Weight, g/mol:	214.156895
ΔH_f, kcal/mol:	-134.49
Dipole, Da:	2.3
IP(EA), eV:	-9.71(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butyl-2-hydroxycyclohexyl) acetate

Drug info:

PubChemData

Smile

CC(C(=O)OC)NC(=O)C(C)(CC=C)N

DOS

IR

Vibrations