Geometry & MOs

Info

ID:	143332
PubChem CID:	53192556
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	316.201159
ΔH_f, kcal/mol:	-23.86
Dipole, Da:	7.76
IP(EA), eV:	-8.18(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCN1C=NN=C1C2CCN(CC2)CC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations