Geometry & MOs

Info

ID:	305278
PubChem CID:	124767950
Reduced:	NO4C26H30 (1)
Stoich.:	AB4C26D30 (1)
Weight, g/mol:	358.131742
ΔH_f, kcal/mol:	-87.34
Dipole, Da:	4.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.269557
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-6-nitro-2-phenyl-5-[(Z)-2-phenylethenyl]-2,3-dihydro-1H-indol-3-ol

Drug info:

PubChemData

Smile

C[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC)OC)CC4=CC=C(C=C4)O

DOS

IR

Vibrations