Geometry & MOs

Info

ID:	30026
PubChem CID:	838963
Reduced:	O3H14C16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	298.123676
ΔH_f, kcal/mol:	-71.69
Dipole, Da:	1.81
IP(EA), eV:	-9.47(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-6-chloro-15-ethyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),5,7,10,14-hexaen-3-amine

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(=CC=C1)C(=O)OC2=CC=CC=C2

DOS

IR

Vibrations