Geometry & MOs

Info

ID:	206752
PubChem CID:	80295360
Reduced:	N3O4C12H15 (1)
Stoich.:	A3B4C12D15 (1)
Weight, g/mol:	266.179442
ΔH_f, kcal/mol:	-55.7
Dipole, Da:	6.66
IP(EA), eV:	-9.47(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CC(CCCO)NC1=NC2=C(O1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations