Geometry & MOs

Info

ID:	231092
PubChem CID:	87572614
Reduced:	ON3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-36.91
Dipole, Da:	3.87
IP(EA), eV:	-8.49(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-(3-phenylpiperidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN1CCN(C2C1CCCC2N3CCCC3)CC=O

DOS

IR

Vibrations