Geometry & MOs

Info

ID:	364510
PubChem CID:	127315762
Reduced:	ClFON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	238.129298
ΔH_f, kcal/mol:	-77.34
Dipole, Da:	5.5
IP(EA), eV:	-8.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,7-dimethyl-1,4-diazepan-1-yl)-3,3,3-trifluoropropan-1-one

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=C(C=C(C=C2)F)Cl)C

DOS

IR

Vibrations