Geometry & MOs

Info

ID:	83679
PubChem CID:	49860025
Reduced:	BrON2C21H27 (1)
Stoich.:	ABC2D21E27 (1)
Weight, g/mol:	405.17796
ΔH_f, kcal/mol:	2.55
Dipole, Da:	3.35
IP(EA), eV:	-8.29(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-methyl-6-propan-2-yl-3-propyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene;hydrobromide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)C[C@H]3C[C@@H]3C4=CC=CC=C4.Br

DOS

IR

Vibrations