Geometry & MOs

Info

ID:	122606
PubChem CID:	50814249
Reduced:	N3O5H27C29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	437.173942
ΔH_f, kcal/mol:	-110.16
Dipole, Da:	4.37
IP(EA), eV:	-8.2(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=CC2=O)C(=O)N4CCC5=CC=CC=C5C4)OC

DOS

IR

Vibrations