Geometry & MOs

Info

ID:	136432
PubChem CID:	52042006
Reduced:	ON5C30H37 (1)
Stoich.:	AB5C30D37 (1)
Weight, g/mol:	448.202989
ΔH_f, kcal/mol:	11.46
Dipole, Da:	2.51
IP(EA), eV:	-8.49(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=NC(=NC=C2)N3CCC(CC3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations