Geometry & MOs

Info

ID:	70269
PubChem CID:	48409871
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	-75.43
Dipole, Da:	10.32
IP(EA), eV:	-8.67(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)/C=C/C2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations