Geometry & MOs

Info

ID:	30027
PubChem CID:	838971
Reduced:	ClN2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	298.123676
ΔH_f, kcal/mol:	20.75
Dipole, Da:	3.93
IP(EA), eV:	-8.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,13R)-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

CCC1=C[C@H]2C[C@@H](C1)C3=C(C4=C(C=CC(=C4)Cl)N=C3C2)N

DOS

IR

Vibrations