Geometry & MOs

Info

ID:	138554
PubChem CID:	52384836
Reduced:	OSN5C15H19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	361.284161
ΔH_f, kcal/mol:	38.34
Dipole, Da:	7.8
IP(EA), eV:	-8.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(C)C)N1C(=CC=N1)NC(=O)CC2=CN3C=CSC3=N2

DOS

IR

Vibrations