Geometry & MOs

Info

ID:	192991
PubChem CID:	78333750
Reduced:	FO3N6C22H22 (1)
Stoich.:	AB3C6D22E22 (1)
Weight, g/mol:	376.118985
ΔH_f, kcal/mol:	-30.88
Dipole, Da:	5.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.990788
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=NC(=[N+](C2C(=O)N(C1=O)C)CC3=CC=C(C=C3)F)NN=CC4=CC=C(C=C4)OC

DOS

IR

Vibrations