Geometry & MOs

Info

ID:	374935
PubChem CID:	131407344
Reduced:	BNF2O3C16H22 (1)
Stoich.:	ABC2D3E16F22 (1)
Weight, g/mol:	220.084792
ΔH_f, kcal/mol:	-303.18
Dipole, Da:	4.65
IP(EA), eV:	-9.31(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-amino-6-methyl-2-oxo-1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CCNC(=O)C(F)F

DOS

IR

Vibrations