Geometry & MOs

Info

ID:	333426
PubChem CID:	127251978
Reduced:	FON3H22C23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	387.194677
ΔH_f, kcal/mol:	-10.75
Dipole, Da:	3.58
IP(EA), eV:	-9.65(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(4-methoxyphenyl)methyl]pyridin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)CC3=CC(=CC=C3)F)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations