Geometry & MOs

Info

ID:	244582
PubChem CID:	99368071
Reduced:	NCl2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	422.268176
ΔH_f, kcal/mol:	-75.09
Dipole, Da:	4.95
IP(EA), eV:	-9.26(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[(2-hydroxyphenyl)methyl]-3-methyl-6-propan-2-yl-N-propylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1=CC=CC=C1O)C(=O)CCC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations