Geometry & MOs

Info

ID:	176239
PubChem CID:	76016638
Reduced:	NO4C25H27 (1)
Stoich.:	AB4C25D27 (1)
Weight, g/mol:	257.126323
ΔH_f, kcal/mol:	-105.02
Dipole, Da:	3.14
IP(EA), eV:	-8.96(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-(aminomethyl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C1=CC=C(C=C1)OC)O)NC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations