Geometry & MOs

Info

ID:	244467
PubChem CID:	99355643
Reduced:	F2O2N5H17C18 (1)
Stoich.:	A2B2C5D17E18 (1)
Weight, g/mol:	390.180424
ΔH_f, kcal/mol:	-76.44
Dipole, Da:	2.55
IP(EA), eV:	-9.61(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-piperidin-1-yl-3-[[4-(1,2,4-triazol-4-yl)benzoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1OC(F)F)NC(=O)C2=NN=C(C=C2)N3C=CN=C3

DOS

IR

Vibrations