Geometry & MOs

Info

ID:	332231
PubChem CID:	127250517
Reduced:	FO2N6C19H19 (1)
Stoich.:	AB2C6D19E19 (1)
Weight, g/mol:	394.175339
ΔH_f, kcal/mol:	4.24
Dipole, Da:	4.89
IP(EA), eV:	-9.61(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(4-methoxyphenyl)pyridin-2-yl]morpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCN2C=NN=N2)C3=CC=CC(=N3)C4=CC(=CC=C4)F

DOS

IR

Vibrations