Geometry & MOs

Info

ID:	29877
PubChem CID:	837954
Reduced:	N2O5H8C14 (1)
Stoich.:	A2B5C8D14 (1)
Weight, g/mol:	245.037419
ΔH_f, kcal/mol:	-14.11
Dipole, Da:	2.6
IP(EA), eV:	-9.63(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,5-dichlorophenyl)-2-methylbutanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)OC(=N2)C3=CC=CO3

DOS

IR

Vibrations