Geometry & MOs

Info

ID:	352488
PubChem CID:	127283576
Reduced:	ON7C20H27 (1)
Stoich.:	AB7C20D27 (1)
Weight, g/mol:	384.146537
ΔH_f, kcal/mol:	44.09
Dipole, Da:	6.86
IP(EA), eV:	-9.39(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations