Geometry & MOs

Info

ID:	389698
PubChem CID:	134994504
Reduced:	SN2O3C10H16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-80.62
Dipole, Da:	4.13
IP(EA), eV:	-8.31(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-methyl-2-nitrobutanoate

Drug info:

PubChemData

Smile

CN(C)NCCOS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations