Geometry & MOs

Info

ID:	33036
PubChem CID:	7850438
Reduced:	O4N5C17H23 (1)
Stoich.:	A4B5C17D23 (1)
Weight, g/mol:	361.175004
ΔH_f, kcal/mol:	-65.36
Dipole, Da:	4.62
IP(EA), eV:	-8.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)CN2N=C(N=N2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations