Geometry & MOs

Info

ID:	234281
PubChem CID:	92298088
Reduced:	NO3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	334.131742
ΔH_f, kcal/mol:	-98.94
Dipole, Da:	2.49
IP(EA), eV:	-9.26(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)OC[C@H](CN(CCO)CC2=CC=CC=C2)O

DOS

IR

Vibrations