Geometry & MOs

Info

ID:	163912
PubChem CID:	74380764
Reduced:	ClON4H23C25 (1)
Stoich.:	ABC4D23E25 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	63.33
Dipole, Da:	4.29
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethylphenyl)methylideneamino]-2-isoquinolin-5-yloxyacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C=NNC(=O)CCC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)Cl

DOS

IR

Vibrations