Geometry & MOs

Info

ID:	193082
PubChem CID:	78339570
Reduced:	N3O7H18C20 (1)
Stoich.:	A3B7C18D20 (1)
Weight, g/mol:	408.12407
ΔH_f, kcal/mol:	-180.51
Dipole, Da:	6.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770951
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)COC(=O)C[N+]2=NC(=O)C3=CC=CC=C3C2=O)OC

DOS

IR

Vibrations