Geometry & MOs

Info

ID:	43372
PubChem CID:	10321189
Reduced:	FO2N3H26C27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	443.212139
ΔH_f, kcal/mol:	-21.06
Dipole, Da:	7.76
IP(EA), eV:	-8.81(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylphenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine

Drug info:

PubChemData

Smile

CN(C)CC1=C(C=CC(=C1F)N2CCCC(C2=O)OC3=CC=CC(=C3)C#N)C4=CC=CC=C4

DOS

IR

Vibrations