Geometry & MOs

Info

ID:	49599
PubChem CID:	11533338
Reduced:	O5N6C25H32 (1)
Stoich.:	A5B6C25D32 (1)
Weight, g/mol:	496.222289
ΔH_f, kcal/mol:	-143.73
Dipole, Da:	2.09
IP(EA), eV:	-8.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,4,4-tetramethyl-7-[[2-(1,6-naphthyridin-3-ylamino)pyridine-3-carbonyl]amino]-3H-isoquinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN(C2=NC(=C(C=C12)C(=O)NC(=O)NC3=CC(=CC=C3)OC(C)C)OCCN4CCOCC4)C

DOS

IR

Vibrations