Geometry & MOs

Info

ID:	351610
PubChem CID:	127280502
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	369.191323
ΔH_f, kcal/mol:	-74.5
Dipole, Da:	6.71
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-(tetrazol-1-yl)benzoyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=CS4

DOS

IR

Vibrations