Geometry & MOs

Info

ID:	28517
PubChem CID:	828048
Reduced:	N2O3H18C21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-17.76
Dipole, Da:	5.18
IP(EA), eV:	-8.69(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)[C@@H]1COC2=CC=CC=C2O1)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations