Geometry & MOs

Info

ID:	378482
PubChem CID:	134224566
Reduced:	OF3N6C22H33 (1)
Stoich.:	AB3C6D22E33 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-142.51
Dipole, Da:	6.1
IP(EA), eV:	-8.7(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[9,10-dimethoxy-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-yl]oxy]acetonitrile

Drug info:

PubChemData

Smile

CC(C)C1=NNC2=C1CN(CC(C2)CC(C)C3=NNC4=C3CN(C4)CC(F)(F)F)COC

DOS

IR

Vibrations