Geometry & MOs

Info

ID:	270085
PubChem CID:	103626561
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	282.085186
ΔH_f, kcal/mol:	-82.12
Dipole, Da:	8.22
IP(EA), eV:	-9.04(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-hydroxy-4-nitrobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations