Geometry & MOs

Info

ID:	192078
PubChem CID:	78224113
Reduced:	ClO2N6C17H21 (1)
Stoich.:	AB2C6D17E21 (1)
Weight, g/mol:	480.133279
ΔH_f, kcal/mol:	-3.9
Dipole, Da:	6.47
IP(EA), eV:	-9.38(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-ylmethyl)-7-fluoro-1-(4-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCC(=NNC1=NC2C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C)C

DOS

IR

Vibrations