Geometry & MOs

Info

ID:	122057
PubChem CID:	50791602
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-30.6
Dipole, Da:	5.58
IP(EA), eV:	-8.38(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-propan-2-yloxyphenyl)methyl]-2-(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)oxyacetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C3=C(C(=CC(=N3)OCC(=O)NC4=CC=C(C=C4)OC)C)C(=N2)C

DOS

IR

Vibrations