Geometry & MOs

Info

ID:	387049
PubChem CID:	134983788
Reduced:	NO3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	414.142701
ΔH_f, kcal/mol:	32.14
Dipole, Da:	2.55
IP(EA), eV:	-10.02(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-nitro-3-oxo-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate

Drug info:

PubChemData

Smile

CC(C(=O)C#CC1=CC=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations