Geometry & MOs

Info

ID:	426017
PubChem CID:	135134895
Reduced:	ClN6H17C18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	408.146537
ΔH_f, kcal/mol:	118.73
Dipole, Da:	6.28
IP(EA), eV:	-8.33(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaen-13-yl]-3-methylmorpholine

Drug info:

PubChemData

Smile

C/C(=C\1/C(=NC2=C(C(=N1)C3=C(C=NC=C3)Cl)N=C(C=C2)C4CC4)N)/N

DOS

IR

Vibrations