Geometry & MOs

Info

ID:	174501
PubChem CID:	75774623
Reduced:	ON4C25H28 (1)
Stoich.:	AB4C25D28 (1)
Weight, g/mol:	432.23254
ΔH_f, kcal/mol:	19.2
Dipole, Da:	3.97
IP(EA), eV:	-8.87(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)-1-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC(=NC=C2)N3CCCC(C3)C(=O)NCC4=CC=CC=C4)C

DOS

IR

Vibrations