Geometry & MOs

Info

ID:	27303
PubChem CID:	820447
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-24.13
Dipole, Da:	4.46
IP(EA), eV:	-9.14(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-3-(1H-indol-3-yl)-2-methylpropanoate

Drug info:

PubChemData

Smile

C1[C@@H](C(=O)N(C1=O)C2=CC=CC=C2)NCCC3=CC=CC=N3

DOS

IR

Vibrations