Geometry & MOs

Info

ID:	342341
PubChem CID:	127265159
Reduced:	FN3C17H20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	311.199762
ΔH_f, kcal/mol:	29.19
Dipole, Da:	0.34
IP(EA), eV:	-9.06(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-methoxyphenyl)prop-2-enyl]-4-(2-methylpyrazol-3-yl)piperidine

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=CC=N2)CC=CC3=CC=C(C=C3)F

DOS

IR

Vibrations