Geometry & MOs

Info

ID:	415573
PubChem CID:	135088569
Reduced:	FON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-37.26
Dipole, Da:	3.4
IP(EA), eV:	-9.06(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylpyridin-3-yl)-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)CC2=CC=CC=C2F

DOS

IR

Vibrations