Geometry & MOs

Info

ID:	77408
PubChem CID:	48428979
Reduced:	FOSN3C17H18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	-11.76
Dipole, Da:	6.51
IP(EA), eV:	-8.65(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methylpyridin-3-yl)-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)/C=C/C2=CC=CC=C2F)C3=NC=CS3

DOS

IR

Vibrations