Geometry & MOs

Info

ID:	284338
PubChem CID:	104044625
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	287.209658
ΔH_f, kcal/mol:	-125.95
Dipole, Da:	2.18
IP(EA), eV:	-9.45(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-5-(2,6-dimethyloxan-4-yl)oxy-2-methylpentanoate

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)OC(=O)C2=CC3=C(CNC3)C=C2

DOS

IR

Vibrations