Geometry & MOs

Info

ID:	311669
PubChem CID:	126596854
Reduced:	O2N3H27C44 (1)
Stoich.:	A2B3C27D44 (1)
Weight, g/mol:	213.155121
ΔH_f, kcal/mol:	266.15
Dipole, Da:	6.06
IP(EA), eV:	-8.34(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(7-methyl-3-bicyclo[3.3.1]nonanyl)methylamino]methanethiol

Drug info:

PubChemData

Smile

C1C(C=CC2=C1C3=C(O2)C=C4C(=C3)C5=C(O4)C=CC(=C5)C6=CC=CC=C6C#N)C7=CC=CC(=C7N8C9C=CC=CC9C1=CC=CC=C18)C#N

DOS

IR

Vibrations