Geometry & MOs

Info

ID:	392264
PubChem CID:	135013991
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	414.179087
ΔH_f, kcal/mol:	-74.71
Dipole, Da:	3.25
IP(EA), eV:	-8.47(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl 1,5-dioxo-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate

Drug info:

PubChemData

Smile

CC1(CCC2=C([C@H]1C(=O)C=C2OC)O)C

DOS

IR

Vibrations