Geometry & MOs

Info

ID:	160622
PubChem CID:	57389241
Reduced:	FON4H13C16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	370.116486
ΔH_f, kcal/mol:	-4.77
Dipole, Da:	4.44
IP(EA), eV:	-9.49(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=NC(=NC=C2C(=O)C1)NC3=CC(=C(C=C3)C#N)F

DOS

IR

Vibrations