Geometry & MOs

Info

ID:	170627
PubChem CID:	75261136
Reduced:	ON6C15H20 (1)
Stoich.:	AB6C15D20 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	65.9
Dipole, Da:	4.24
IP(EA), eV:	-9.03(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-phenyl-5-[(2-pyridin-4-ylethylamino)methyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1)CCNC(=O)C2C(NNN2)C3=CC=CC=C3

DOS

IR

Vibrations