Geometry & MOs

Info

ID:	346484
PubChem CID:	127270988
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	-82.96
Dipole, Da:	1.76
IP(EA), eV:	-8.73(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2C(=O)CN3C(=O)CN4C5=CC=CC=C5C=C4C3=O

DOS

IR

Vibrations