Geometry & MOs

Info

ID:	373244
PubChem CID:	131312162
Reduced:	ClFNOH5C9 (1)
Stoich.:	ABCDE5F9 (1)
Weight, g/mol:	210.173213
ΔH_f, kcal/mol:	-31.3
Dipole, Da:	2.26
IP(EA), eV:	-10.11(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-2-ylidene)-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)F)C(=O)C#N

DOS

IR

Vibrations