Geometry & MOs

Info

ID:	418769
PubChem CID:	135106780
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	342.121572
ΔH_f, kcal/mol:	-128.41
Dipole, Da:	4.63
IP(EA), eV:	-9.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC(C(C)C)C(=O)NCC2=CC=C(O2)C(=O)NC

DOS

IR

Vibrations