Geometry & MOs

Info

ID:	403913
PubChem CID:	135062513
Reduced:	OSi2N7H25C35 (1)
Stoich.:	AB2C7D25E35 (1)
Weight, g/mol:	382.04298
ΔH_f, kcal/mol:	59.21
Dipole, Da:	5.29
IP(EA), eV:	-7.06(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2R,3aS)-2-(iodomethyl)-2,3,3a,4,5,6-hexahydropentalen-1-yl]benzoate

Drug info:

PubChemData

Smile

C[Si](C)(C)O[Si-]123N4C5=C6N1C(=NC7=[N+]2C(=NC8=C9C=CC=CC9=C(N38)N=C4C1=CC=CC=C15)C1=CC=CC=C17)C1=CC=CC=C16

DOS

IR

Vibrations