Geometry & MOs

Info

ID:	192221
PubChem CID:	78247758
Reduced:	FO2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	494.220557
ΔH_f, kcal/mol:	9.52
Dipole, Da:	8.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.830648
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

C1C[NH+](CN1)CCCNC2=C(N=C(O2)COC3=CC=C(C=C3)F)C#N

DOS

IR

Vibrations