Geometry & MOs

Info

ID:	136436
PubChem CID:	52042897
Reduced:	ON5C29H35 (1)
Stoich.:	AB5C29D35 (1)
Weight, g/mol:	434.187339
ΔH_f, kcal/mol:	20.61
Dipole, Da:	4.16
IP(EA), eV:	-8.83(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(5-chloro-2-methylphenyl)-1-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NC=C2)N3CCC[C@@H](C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5C)C

DOS

IR

Vibrations