Geometry & MOs

Info

ID:	176325
PubChem CID:	76034525
Reduced:	ClFON4C14H14 (1)
Stoich.:	ABCD4E14F14 (1)
Weight, g/mol:	411.228382
ΔH_f, kcal/mol:	-14.65
Dipole, Da:	4.6
IP(EA), eV:	-8.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CC1C(=C)NN2C(N1)NC(=O)C2=CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations