Geometry & MOs

Info

ID:	155074
PubChem CID:	56320648
Reduced:	OSF3N4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	423.263425
ΔH_f, kcal/mol:	-121.5
Dipole, Da:	1.5
IP(EA), eV:	-8.95(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propan-2-yl-2-[4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC(=N2)CCNC(=O)NC3=CC=CC=C3SCC(F)(F)F

DOS

IR

Vibrations