Geometry & MOs

Info

ID:	396663
PubChem CID:	135028999
Reduced:	NO4H9C16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	47.04
Dipole, Da:	6.81
IP(EA), eV:	-10.11(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-(3-methylimidazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC(=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations