Geometry & MOs

Info

ID:	132043
PubChem CID:	51298808
Reduced:	ClO2F3N3H15C16 (1)
Stoich.:	AB2C3D3E15F16 (1)
Weight, g/mol:	385.091722
ΔH_f, kcal/mol:	-178.28
Dipole, Da:	2.49
IP(EA), eV:	-9.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=CO2)C3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations