Geometry & MOs

Info

ID:	370800
PubChem CID:	127340604
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	383.268511
ΔH_f, kcal/mol:	-117.34
Dipole, Da:	8.1
IP(EA), eV:	-8.78(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)N3CCCN(CC3)C4CCCC4

DOS

IR

Vibrations