Geometry & MOs

Info

ID:	149198
PubChem CID:	53788870
Reduced:	N2O5C11H12 (1)
Stoich.:	A2B5C11D12 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-123.34
Dipole, Da:	4.63
IP(EA), eV:	-10.5(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4,4-dimethyl-5-nitro-2-oxo-N-phenylpentanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NC(=O)CC1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations