Geometry & MOs

Info

ID:	265268
PubChem CID:	103515892
Reduced:	NF2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	205.127821
ΔH_f, kcal/mol:	-166.4
Dipole, Da:	2.06
IP(EA), eV:	-9.48(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylazepan-1-yl)-2,2-difluoroethanone

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1OC)NC(=O)C(F)F

DOS

IR

Vibrations