Geometry & MOs

Info

ID:	355672
PubChem CID:	127289637
Reduced:	O3N5C20H31 (1)
Stoich.:	A3B5C20D31 (1)
Weight, g/mol:	377.253923
ΔH_f, kcal/mol:	-97.01
Dipole, Da:	3.96
IP(EA), eV:	-8.79(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)C3=C(N=CC=C3)OC

DOS

IR

Vibrations