Geometry & MOs

Info

ID:	449813
PubChem CID:	135301764
Reduced:	FOSN5C19H24 (1)
Stoich.:	ABCD5E19F24 (1)
Weight, g/mol:	256.193949
ΔH_f, kcal/mol:	-40.39
Dipole, Da:	4.02
IP(EA), eV:	-8.73(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-azatricyclo[9.7.0.012,17]octadeca-1(11),12,14,16-tetraen-18-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1N2CCC3(C2)CCN(C3)CC4=CN=C(S4)NC(=O)C)F

DOS

IR

Vibrations