Geometry & MOs

Info

ID:	296282
PubChem CID:	117565970
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	243.147058
ΔH_f, kcal/mol:	-136.46
Dipole, Da:	3.84
IP(EA), eV:	-8.93(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-2-(oxolan-2-ylmethylcarbamoyl)butanoate

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C(CC)C(=O)OC)C

DOS

IR

Vibrations