Geometry & MOs

Info

ID:	242765
PubChem CID:	99206167
Reduced:	O2N7C21H23 (1)
Stoich.:	A2B7C21D23 (1)
Weight, g/mol:	405.191323
ΔH_f, kcal/mol:	12.09
Dipole, Da:	2.97
IP(EA), eV:	-8.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-[[5-(6-methylpyridin-2-yl)-1H-1,2,4-triazol-3-yl]carbamoyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NC(=NN2)NC(=O)C3=CC=C(C=C3)N4CCC[C@@H](C4)C(=O)N

DOS

IR

Vibrations