Geometry & MOs

Info

ID:	123272
PubChem CID:	50840179
Reduced:	ON7C27H37 (1)
Stoich.:	AB7C27D37 (1)
Weight, g/mol:	435.263425
ΔH_f, kcal/mol:	40.29
Dipole, Da:	4.77
IP(EA), eV:	-8.21(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-butoxyphenyl)methyl]-1-(1,3-dimethylpyrazolo[3,4-c]pyridin-7-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=CN=C2N3CCC(CC3)C(=O)NCCCN4CCN(CC4)C5=CC=CC=C5)C

DOS

IR

Vibrations