Geometry & MOs

Info

ID:	61346
PubChem CID:	26708379
Reduced:	S2N3O3H15C20 (1)
Stoich.:	A2B3C3D15E20 (1)
Weight, g/mol:	357.147727
ΔH_f, kcal/mol:	-5.63
Dipole, Da:	3.49
IP(EA), eV:	-8.58(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-quinolin-8-ylacetamide

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C(=O)NC2=NC3=CC4=C(C=C3S2)OCCO4)C5=CC=CC=C5

DOS

IR

Vibrations