Geometry & MOs

Info

ID:	244456
PubChem CID:	99355596
Reduced:	O3N4H18C21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	-21.74
Dipole, Da:	7.87
IP(EA), eV:	-8.29(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations