Geometry & MOs

Info

ID:	413500
PubChem CID:	135086449
Reduced:	N2O9C16H22 (1)
Stoich.:	A2B9C16D22 (1)
Weight, g/mol:	315.147058
ΔH_f, kcal/mol:	-394.15
Dipole, Da:	8.74
IP(EA), eV:	-9.78(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(2-methyl-3-oxobutanoyl)indole-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)CO)O)C(=O)OCC

DOS

IR

Vibrations