Geometry & MOs

Info

ID:	145635
PubChem CID:	53562827
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	342.99564
ΔH_f, kcal/mol:	-26.55
Dipole, Da:	3.16
IP(EA), eV:	-8.73(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-2-oxo-1H-pyridin-3-yl)isoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)OC)N(C)C(=O)C2=CC=NN2

DOS

IR

Vibrations