Geometry & MOs

Info

ID:	350576
PubChem CID:	127278611
Reduced:	ON7C19H23 (1)
Stoich.:	AB7C19D23 (1)
Weight, g/mol:	252.133474
ΔH_f, kcal/mol:	60.69
Dipole, Da:	5.98
IP(EA), eV:	-9.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)C(=O)N3CCCC(C3)C4=NN=C5N4CCC5)C

DOS

IR

Vibrations