Geometry & MOs

Info

ID:	355436
PubChem CID:	127288499
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	345.191323
ΔH_f, kcal/mol:	68.91
Dipole, Da:	6.18
IP(EA), eV:	-9.18(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-oxo-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C2=CC=C(C=C2)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations