Geometry & MOs

Info

ID:	196266
PubChem CID:	78804373
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	325.134779
ΔH_f, kcal/mol:	-95.48
Dipole, Da:	3.16
IP(EA), eV:	-9.01(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-ylmethyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CNC(=O)C

DOS

IR

Vibrations