Geometry & MOs

Info

ID:	57817
PubChem CID:	24277550
Reduced:	OSN3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	230.178299
ΔH_f, kcal/mol:	0.52
Dipole, Da:	4.36
IP(EA), eV:	-8.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)N)C2=CC3=C4C(=C2)CCN4C(=O)CC3

DOS

IR

Vibrations