Geometry & MOs

Info

ID:	351635
PubChem CID:	127280527
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	375.147744
ΔH_f, kcal/mol:	-20.13
Dipole, Da:	6.58
IP(EA), eV:	-9.26(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-1-[4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC4=NC=CN=C4C=C3

DOS

IR

Vibrations