Geometry & MOs

Info

ID:	196981
PubChem CID:	78904849
Reduced:	OSN5C24H37 (1)
Stoich.:	ABC5D24E37 (1)
Weight, g/mol:	409.10723
ΔH_f, kcal/mol:	5.11
Dipole, Da:	4.29
IP(EA), eV:	-8.13(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CCC1=CC=CC=C1)CN2C(=S)N(C(=N2)N3CCC(CC3)C)CC4CCCO4

DOS

IR

Vibrations