Geometry & MOs

Info

ID:	132044
PubChem CID:	51298809
Reduced:	ClOF3N5H15C16 (1)
Stoich.:	ABC3D5E15F16 (1)
Weight, g/mol:	388.091388
ΔH_f, kcal/mol:	-124.24
Dipole, Da:	6.18
IP(EA), eV:	-9.17(-1.05)
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]-(3-methyl-1,2-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=NC=CN=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations