Geometry & MOs

Info

ID:	170207
PubChem CID:	75206892
Reduced:	N2O5C23H24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	487.1219
ΔH_f, kcal/mol:	-140.69
Dipole, Da:	4.25
IP(EA), eV:	-9.04(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-3-(1,3,4-trimethyl-6-oxo-5H-pyrazolo[3,4-b]pyridin-5-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)COC2=CC=CC(=C2)NC(=O)C3CC3

DOS

IR

Vibrations