Geometry & MOs

Info

ID:	349927
PubChem CID:	127276732
Reduced:	FSN3O3C18H20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	350.231791
ΔH_f, kcal/mol:	-169.92
Dipole, Da:	3.09
IP(EA), eV:	-8.74(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CCC1C(=O)NC3CCSC4=C3C=C(C=C4)F)C(=O)NC(=O)N2

DOS

IR

Vibrations