Geometry & MOs

Info

ID:	203870
PubChem CID:	79886313
Reduced:	OF2N3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-31.4
Dipole, Da:	7.13
IP(EA), eV:	-9.78(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-N-(3-methylpiperidin-4-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C#N)COC2=C(C=C(C=C2F)CN)F

DOS

IR

Vibrations