Geometry & MOs

Info

ID:	123383
PubChem CID:	50845382
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	444.252526
ΔH_f, kcal/mol:	-17.76
Dipole, Da:	6.52
IP(EA), eV:	-8.16(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC2=NC(=C(S2)C(=O)NC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations