Geometry & MOs

Info

ID:	126500
PubChem CID:	50966375
Reduced:	O2N7C17H19 (1)
Stoich.:	A2B7C17D19 (1)
Weight, g/mol:	344.159689
ΔH_f, kcal/mol:	34.16
Dipole, Da:	7.38
IP(EA), eV:	-9.74(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4S)-1-methyl-4-[[3-(5-methyltetrazol-1-yl)benzoyl]amino]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CCN2C(=CC(=N2)C(=O)N3CCCN4C(=CC(=N4)C#N)C3)C1

DOS

IR

Vibrations