Geometry & MOs

Info

ID:	445401
PubChem CID:	135266867
Reduced:	O3N5C21H31 (1)
Stoich.:	A3B5C21D31 (1)
Weight, g/mol:	371.163377
ΔH_f, kcal/mol:	-16.75
Dipole, Da:	5.35
IP(EA), eV:	-8.49(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-methyl-4-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridin-3-yl]phenyl]methyl]formamide

Drug info:

PubChemData

Smile

CC1=C(C(=C)C(=CC1=N/C/2=C(/CCCCNNC2=O)\N)CCCN=O)CCCO

DOS

IR

Vibrations