Geometry & MOs

Info

ID:	40473
PubChem CID:	8144197
Reduced:	ClNO2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	277.086956
ΔH_f, kcal/mol:	-40.33
Dipole, Da:	6.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.112800
Charge, e:	0

Chem-info

IUPAC name:

(5S,7aS)-3-chloro-6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one

Drug info:

PubChemData

Smile

C[C@@]12C[NH+]([C@@H](CC1=C(C(=O)O2)Cl)C3=CC=CC=C3)C

DOS

IR

Vibrations