Geometry & MOs

Info

ID:	332046
PubChem CID:	127250332
Reduced:	O3N6C20H22 (1)
Stoich.:	A3B6C20D22 (1)
Weight, g/mol:	398.125802
ΔH_f, kcal/mol:	9.47
Dipole, Da:	5.52
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(3-chlorophenyl)pyridin-2-yl]morpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CN=C(C=C2)C3CN(CCO3)C(=O)CCN4C=NN=N4

DOS

IR

Vibrations