Geometry & MOs

Info

ID:	421827
PubChem CID:	135116689
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	358.116486
ΔH_f, kcal/mol:	39.98
Dipole, Da:	5.69
IP(EA), eV:	-8.88(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-(5-methoxy-3-methyl-1H-indole-2-carbonyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations