Geometry & MOs

Info

ID:	359320
PubChem CID:	127298361
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	384.227374
ΔH_f, kcal/mol:	-64.01
Dipole, Da:	3.83
IP(EA), eV:	-8.81(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)-2-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC(=O)N2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations