Geometry & MOs

Info

ID:	330275
PubChem CID:	127247262
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	30.83
Dipole, Da:	4.2
IP(EA), eV:	-8.71(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-chromen-3-yl-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C(=O)N3CCCCC3C4=CC=NN4

DOS

IR

Vibrations