Geometry & MOs

Info

ID:	442618
PubChem CID:	135253404
Reduced:	ClON2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	426.120716
ΔH_f, kcal/mol:	3.2
Dipole, Da:	4.14
IP(EA), eV:	-9.16(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN=C2C(=C1Cl)C(=CN2C)C=O

DOS

IR

Vibrations