Geometry & MOs

Info

ID:	83602
PubChem CID:	49858660
Reduced:	NO4H25C29 (1)
Stoich.:	AB4C25D29 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-86.75
Dipole, Da:	3.06
IP(EA), eV:	-8.94(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1R,2R,3S)-3-methoxy-2-methyl-2,3-dihydro-1H-inden-1-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC2=C([C@@H]3C4=CC=CC=C4C[C@@](O3)(O2)C5=CC=C(C=C5)OC)C(=O)N1CC6=CC=CC=C6

DOS

IR

Vibrations