Geometry & MOs

Info

ID:	349163
PubChem CID:	127274889
Reduced:	SO3N6C15H24 (1)
Stoich.:	AB3C6D15E24 (1)
Weight, g/mol:	363.201888
ΔH_f, kcal/mol:	-58.26
Dipole, Da:	5.35
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-[4-[2-(tetrazol-1-yl)acetyl]piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCOC(C1)CSCC(=O)N2CCN(CC2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations