Geometry & MOs

Info

ID:	167254
PubChem CID:	74798211
Reduced:	O4N5C24H29 (1)
Stoich.:	A4B5C24D29 (1)
Weight, g/mol:	452.234945
ΔH_f, kcal/mol:	-88.23
Dipole, Da:	8.1
IP(EA), eV:	-8.74(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(4-fluorophenyl)-2-methyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]pyrimidine

Drug info:

PubChemData

Smile

CCC1C(NC(NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=C(C=C4)OC(C)C)C

DOS

IR

Vibrations