Geometry & MOs

Info

ID:	420486
PubChem CID:	135113430
Reduced:	OF2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	-102.94
Dipole, Da:	3.6
IP(EA), eV:	-9.54(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxypyridin-2-yl)-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CCC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations