Geometry & MOs

Info

ID:	26734
PubChem CID:	795416
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-14.8
Dipole, Da:	1.89
IP(EA), eV:	-9.26(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-3-methyl-2-[(3-nitrobenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations