Geometry & MOs

Info

ID:	192993
PubChem CID:	78335411
Reduced:	FO2N6C18H25 (1)
Stoich.:	AB2C6D18E25 (1)
Weight, g/mol:	499.09944
ΔH_f, kcal/mol:	-79.33
Dipole, Da:	5.67
IP(EA), eV:	-9.3(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-(furan-2-ylmethyl)-1-(3-propoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCNCCNC1=NC2C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3F

DOS

IR

Vibrations