Geometry & MOs

Info

ID:	382598
PubChem CID:	134973856
Reduced:	OC7H12 (1)
Stoich.:	AB7C12 (1)
Weight, g/mol:	452.13107
ΔH_f, kcal/mol:	-23.29
Dipole, Da:	3.1
IP(EA), eV:	-9.73(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-bromo-2-[[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]methyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

C/C=C\C1C(O1)(C)C

DOS

IR

Vibrations