Geometry & MOs

Info

ID:	417428
PubChem CID:	135093826
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	353.160023
ΔH_f, kcal/mol:	-84.68
Dipole, Da:	6.2
IP(EA), eV:	-8.4(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CNC(=C(C1=O)C)CN2CCC(C2)C3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations