Geometry & MOs

Info

ID:	202736
PubChem CID:	79718673
Reduced:	FIN4H10C11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	300.151703
ΔH_f, kcal/mol:	42.06
Dipole, Da:	4.46
IP(EA), eV:	-9.13(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(5-chloro-3-fluoropyridin-2-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2=NC=C(C=C2)F)NC)I

DOS

IR

Vibrations