Geometry & MOs

Info

ID:	396121
PubChem CID:	135027474
Reduced:	O6C27H32 (1)
Stoich.:	A6B27C32 (1)
Weight, g/mol:	483.179421
ΔH_f, kcal/mol:	-182.15
Dipole, Da:	4.8
IP(EA), eV:	-8.62(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-formyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-6H-azepino[4,5-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC[C@@H]([C@H](COCC2=CC=C(C=C2)OC)OCC3=CC=CC=C3)O

DOS

IR

Vibrations