Geometry & MOs

Info

ID:	390702
PubChem CID:	135000424
Reduced:	ClO5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-197.83
Dipole, Da:	4.98
IP(EA), eV:	-9.42(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-benzyl-3-(nitromethyl)heptanal

Drug info:

PubChemData

Smile

CCCOC(=O)C([C@@H](CC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)Cl)C(=O)OCCC

DOS

IR

Vibrations