Geometry & MOs

Info

ID:	443176
PubChem CID:	135257980
Reduced:	ClIO2N3H13C16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	592.235352
ΔH_f, kcal/mol:	7.08
Dipole, Da:	1.08
IP(EA), eV:	-9.07(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N-(4-benzoylphenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C2C(=C1Cl)C(=NN2C3=CC=C(C=C3)I)C

DOS

IR

Vibrations