Geometry & MOs

Info

ID:	427251
PubChem CID:	135156421
Reduced:	FSO2N4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	337.215413
ΔH_f, kcal/mol:	-57.58
Dipole, Da:	9.77
IP(EA), eV:	-9.6(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C=N1)C2=C(C(=O)N3C[C@H](CSC3=N2)CO)C#N)F

DOS

IR

Vibrations