Geometry & MOs

Info

ID:	56924
PubChem CID:	22394896
Reduced:	N3O5C28H37 (1)
Stoich.:	A3B5C28D37 (1)
Weight, g/mol:	229.055049
ΔH_f, kcal/mol:	-193.52
Dipole, Da:	4.68
IP(EA), eV:	-9.4(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-difluorophenyl)methyl N-(2-oxoethyl)carbamate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(C(CCC#N)O)O)C

DOS

IR

Vibrations