Geometry & MOs

Info

ID:	364745
PubChem CID:	127316051
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	325.165108
ΔH_f, kcal/mol:	3.02
Dipole, Da:	5.68
IP(EA), eV:	-9.12(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NO2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations