Geometry & MOs

Info

ID:	192958
PubChem CID:	78329228
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	412.098998
ΔH_f, kcal/mol:	-80.64
Dipole, Da:	6.9
IP(EA), eV:	-9.19(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-(4-fluorophenyl)-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCN1C=NC2C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCCC4=CCCCC4

DOS

IR

Vibrations