Geometry & MOs

Info

ID:	196765
PubChem CID:	78875240
Reduced:	BrClNF2O2H13C16 (1)
Stoich.:	ABCD2E2F13G16 (1)
Weight, g/mol:	361.166938
ΔH_f, kcal/mol:	-157.3
Dipole, Da:	4.19
IP(EA), eV:	-9.56(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)OC(F)F)NC(=O)C2=C(C=CC(=C2)Cl)Br

DOS

IR

Vibrations