Geometry & MOs

Info

ID:

416794

PubChem CID:

135090432

Reduced:

O5N7C35H45 (1)

Stoich.:

A5B7C35D45 (1)

Weight, g/mol:

379.175673

ΔHf, kcal/mol:

-164.81

Dipole, Da:

14.29

IP(EA), eV:

 -9.2(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=CN(C=N4)C

DOS

IR

Vibrations