Geometry & MOs

Info

ID:	359458
PubChem CID:	127298732
Reduced:	NSO5C19H27 (1)
Stoich.:	ABC5D19E27 (1)
Weight, g/mol:	251.17461
ΔH_f, kcal/mol:	-207.0
Dipole, Da:	3.6
IP(EA), eV:	-9.26(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethyl-1,2,4-triazol-3-yl)-N,N-dimethylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations