Geometry & MOs

Info

ID:	370796
PubChem CID:	127340582
Reduced:	O2N3C21H37 (1)
Stoich.:	A2B3C21D37 (1)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	-136.71
Dipole, Da:	0.75
IP(EA), eV:	-8.63(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyl-1,4-diazepan-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)C2CCCC2)NC(=O)CC3CCCCC3

DOS

IR

Vibrations