Geometry & MOs

Info

ID:	260738
PubChem CID:	103202185
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	295.116821
ΔH_f, kcal/mol:	-39.97
Dipole, Da:	11.15
IP(EA), eV:	-8.97(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-cyclopropyl-3-(4-methoxy-3-nitrophenoxy)propanamide

Drug info:

PubChemData

Smile

CC(CC(C)(C#N)N)OC1=CC(=C(C=C1)OC)[N+](=O)[O-]

DOS

IR

Vibrations