Geometry & MOs

Info

ID:	172559
PubChem CID:	75524815
Reduced:	F2N2O3H20C23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	-84.89
Dipole, Da:	3.56
IP(EA), eV:	-8.86(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/2\C(=O)/C(=C\C3=CC(=C(C=C3)OC)F)/CN(C2)CC#N)F

DOS

IR

Vibrations