Geometry & MOs

Info

ID:	351548
PubChem CID:	127280436
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	383.206973
ΔH_f, kcal/mol:	-97.19
Dipole, Da:	1.64
IP(EA), eV:	-9.3(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations