Geometry & MOs

Info

ID:	216121
PubChem CID:	85085758
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	230.151809
ΔH_f, kcal/mol:	58.19
Dipole, Da:	2.22
IP(EA), eV:	-8.87(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-acetyloxy-2,4,4-trimethylpentanoate

Drug info:

PubChemData

Smile

CCNC1C(C(NN1)C2=CC=C(C=C2)C)N=O

DOS

IR

Vibrations