Geometry & MOs

Info

ID:	331917
PubChem CID:	127250203
Reduced:	FO2N6C20H21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	412.141452
ΔH_f, kcal/mol:	-2.27
Dipole, Da:	7.14
IP(EA), eV:	-9.75(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCN2C=NN=N2)C3=NC=C(C=C3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations