Geometry & MOs

Info

ID:	387120
PubChem CID:	134984089
Reduced:	NSiO3C28H41 (1)
Stoich.:	ABC3D28E41 (1)
Weight, g/mol:	301.204179
ΔH_f, kcal/mol:	-150.88
Dipole, Da:	1.2
IP(EA), eV:	-9.2(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7aR)-1-(3,4-dimethylpent-3-enyl)-5-methoxy-1-(methoxymethyl)-7,7a-dihydroazirino[1,2-a]indole

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C23CN2[C@H]4CC[C@@H]3C(=C4)O[Si](C)(C)C)C(C)(C)C5=CC=CC=C5

DOS

IR

Vibrations