Geometry & MOs

Info

ID:	296987
PubChem CID:	117604927
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	295.105587
ΔH_f, kcal/mol:	-61.38
Dipole, Da:	6.32
IP(EA), eV:	-9.16(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2CC3CCC2N3C(=O)O)C

DOS

IR

Vibrations