Geometry & MOs

Info

ID:	176880
PubChem CID:	76107212
Reduced:	O9N10C38H48 (1)
Stoich.:	A9B10C38D48 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-274.52
Dipole, Da:	7.54
IP(EA), eV:	-9.68(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-azabicyclo[2.2.2]octan-3-yl 4-(2-methyltetrazol-5-yl)-2-phenylbutanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N)NC(=O)C(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C(CC3=CN=CN3)NC(=O)C4CCC(=O)N4

DOS

IR

Vibrations