Geometry & MOs

Info

ID:	331918
PubChem CID:	127250204
Reduced:	ClO2N6C20H21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	446.167808
ΔH_f, kcal/mol:	35.41
Dipole, Da:	5.03
IP(EA), eV:	-9.73(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCN2C=NN=N2)C3=NC=C(C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations