Geometry & MOs

Info

ID:	408830
PubChem CID:	135081600
Reduced:	NSiO2C24H25 (1)
Stoich.:	ABC2D24E25 (1)
Weight, g/mol:	278.95787
ΔH_f, kcal/mol:	-37.22
Dipole, Da:	5.32
IP(EA), eV:	-8.18(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-2-methylsulfanylcyclohepta-1,4,6-trien-1-amine

Drug info:

PubChemData

Smile

C[Si](C)(C1=CC=CC=C1)C2=CC=C/C(=C/N[C@H]3[C@H](CC4=CC=CC=C34)O)/C2=O

DOS

IR

Vibrations