Geometry & MOs

Info

ID:	360888
PubChem CID:	127301585
Reduced:	O3N4C19H32 (1)
Stoich.:	A3B4C19D32 (1)
Weight, g/mol:	380.257612
ΔH_f, kcal/mol:	-119.08
Dipole, Da:	11.68
IP(EA), eV:	-8.99(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclohexylphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)C(C)OCC3CCCCO3

DOS

IR

Vibrations