Geometry & MOs

Info

ID:	330363
PubChem CID:	127247350
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	67.07
Dipole, Da:	6.4
IP(EA), eV:	-9.2(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)C3=CC(=NN3)C4=CN=CC=C4

DOS

IR

Vibrations