Geometry & MOs

Info

ID:	136431
PubChem CID:	52041911
Reduced:	OF2N4C24H24 (1)
Stoich.:	AB2C4D24E24 (1)
Weight, g/mol:	483.299811
ΔH_f, kcal/mol:	-69.21
Dipole, Da:	2.76
IP(EA), eV:	-8.75(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=NC(=NC=C2)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations