Geometry & MOs

Info

ID:	431021
PubChem CID:	135171091
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	301.131408
ΔH_f, kcal/mol:	-130.61
Dipole, Da:	2.23
IP(EA), eV:	-8.62(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC/C=C(\CC)/N(CC)C(=O)OC(C)(C)C

DOS

IR

Vibrations