Geometry & MOs

Info

ID:	368821
PubChem CID:	127330554
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-103.51
Dipole, Da:	3.31
IP(EA), eV:	-9.46(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclohexyloxyphenyl)-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2(CCC2)NC(=O)COCC3CCOC3

DOS

IR

Vibrations