Geometry & MOs

Info

ID:	351596
PubChem CID:	127280488
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	368.196074
ΔH_f, kcal/mol:	-19.08
Dipole, Da:	7.02
IP(EA), eV:	-9.27(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-1-[4-[4-(1,2,4-triazol-1-yl)benzoyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations