Geometry & MOs

Info

ID:	419002
PubChem CID:	135107296
Reduced:	N2O5C19H26 (1)
Stoich.:	A2B5C19D26 (1)
Weight, g/mol:	345.154938
ΔH_f, kcal/mol:	-189.31
Dipole, Da:	4.36
IP(EA), eV:	-8.7(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methoxypyridine-4-carbonyl)-1,4-diazepan-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=C(C(=CC=C3)OC)OC)C(=O)O

DOS

IR

Vibrations