Geometry & MOs

Info

ID:	368456
PubChem CID:	127328741
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	395.268511
ΔH_f, kcal/mol:	-53.45
Dipole, Da:	7.09
IP(EA), eV:	-9.46(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1CC(CC2)CNC(=O)NC3CCC4CCCCC4C3

DOS

IR

Vibrations