Geometry & MOs

Info

ID:

161975

PubChem CID:

57393212

Reduced:

ON7C20H21 (1)

Stoich.:

AB7C20D21 (1)

Weight, g/mol:

393.191323

ΔHf, kcal/mol:

68.97

Dipole, Da:

3.04

IP(EA), eV:

 -7.85(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxy-N-methyl-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]pyridin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1(CC1)C2=CC=CC(=N2)C3=CC4=C5C(=C(N=C4N3)NC)N=CN5C

DOS

IR

Vibrations