Geometry & MOs

Info

ID:	364715
PubChem CID:	127316018
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	311.149458
ΔH_f, kcal/mol:	-83.48
Dipole, Da:	0.41
IP(EA), eV:	-9.08(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NCC(=O)N2CCN(CC2)CC3=NC=CN3

DOS

IR

Vibrations