Geometry & MOs

Info

ID:	346478
PubChem CID:	127270982
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-100.83
Dipole, Da:	7.39
IP(EA), eV:	-8.95(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCCC3CN4CCCC4

DOS

IR

Vibrations