Geometry & MOs

Info

ID:	355340
PubChem CID:	127288317
Reduced:	ON6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	337.201494
ΔH_f, kcal/mol:	55.55
Dipole, Da:	5.85
IP(EA), eV:	-8.47(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C(C)N2CCCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations