Geometry & MOs

Info

ID:	355435
PubChem CID:	127288498
Reduced:	O2N6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	2.98
Dipole, Da:	4.99
IP(EA), eV:	-9.55(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-methylpyrazol-1-yl)phenyl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=NC=C(C(=O)N2C=C1)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations