Geometry & MOs

Info

ID:	392671
PubChem CID:	135017564
Reduced:	NPdO2C20H21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	307.157229
ΔH_f, kcal/mol:	40.09
Dipole, Da:	5.72
IP(EA), eV:	-7.63(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1aS,6bS)-1a-phenyl-1,6b-dihydrocyclopropa[b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C-]([C@H](C2=CC=CC=C21)[CH2-])C3=CC=CC=C3.[Pd+2]

DOS

IR

Vibrations