Geometry & MOs

Info

ID:	448453
PubChem CID:	135291042
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	186.125594
ΔH_f, kcal/mol:	22.6
Dipole, Da:	3.4
IP(EA), eV:	-9.07(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R)-4-ethyl-2-methyloxan-4-yl] acetate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C3NCC4=CC(=CC=C4)N=O

DOS

IR

Vibrations