Geometry & MOs

Info

ID:	442567
PubChem CID:	135253064
Reduced:	ClON5C22H26 (1)
Stoich.:	ABC5D22E26 (1)
Weight, g/mol:	424.026059
ΔH_f, kcal/mol:	19.75
Dipole, Da:	2.82
IP(EA), eV:	-8.66(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2Cl)C=NN3C4CCN(CC4)C(C)C

DOS

IR

Vibrations