Geometry & MOs

Info

ID:	123465
PubChem CID:	50848943
Reduced:	ClFO2N4C26H28 (1)
Stoich.:	ABC2D4E26F28 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-73.95
Dipole, Da:	3.44
IP(EA), eV:	-9.12(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxyphenyl)-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C3C=C(C=CN3N=C2)C4CCN(CC4)C(=O)C5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations