Geometry & MOs

Info

ID:	318176
PubChem CID:	126649400
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	297.063722
ΔH_f, kcal/mol:	-18.13
Dipole, Da:	6.13
IP(EA), eV:	-9.26(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(6-cyano-1,3-benzodioxol-4-yl)-2-hydroxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N(C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations