Geometry & MOs

Info

ID:	33035
PubChem CID:	7850433
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	361.175004
ΔH_f, kcal/mol:	-161.23
Dipole, Da:	4.79
IP(EA), eV:	-9.11(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)O[C@H](C)C(=O)NC2=CC=CC(=C2)C(=O)C

DOS

IR

Vibrations