Geometry & MOs

Info

ID:	361103
PubChem CID:	127302019
Reduced:	O2N5C16H29 (1)
Stoich.:	A2B5C16D29 (1)
Weight, g/mol:	398.27941
ΔH_f, kcal/mol:	-50.28
Dipole, Da:	5.58
IP(EA), eV:	-8.7(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-6-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CCC(=O)NCC2CN(CCN2C)C

DOS

IR

Vibrations