Geometry & MOs

Info

ID:	426014
PubChem CID:	135134887
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	408.146537
ΔH_f, kcal/mol:	20.55
Dipole, Da:	2.42
IP(EA), eV:	-7.9(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-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]-2-methylmorpholine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=C(C=C2)OC)N)N

DOS

IR

Vibrations