Geometry & MOs

Info

ID:	70266
PubChem CID:	48409840
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	418.211724
ΔH_f, kcal/mol:	-64.73
Dipole, Da:	4.35
IP(EA), eV:	-9.03(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)NCC3=C(N(N=C3C)CCOC)C

DOS

IR

Vibrations