Geometry & MOs

Info

ID:	137727
PubChem CID:	52253961
Reduced:	N2O3H18C20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-70.98
Dipole, Da:	3.5
IP(EA), eV:	-8.54(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations