Geometry & MOs

Info

ID:	136440
PubChem CID:	52043555
Reduced:	ON4C27H30 (1)
Stoich.:	AB4C27D30 (1)
Weight, g/mol:	414.241962
ΔH_f, kcal/mol:	14.42
Dipole, Da:	3.33
IP(EA), eV:	-8.65(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=NC(=NC=C2)N3CCC[C@@H](C3)C(=O)N[C@@H]4CCC5=CC=CC=C45

DOS

IR

Vibrations