Geometry & MOs

Info

ID:	279559
PubChem CID:	103844326
Reduced:	ON3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	268.13872
ΔH_f, kcal/mol:	-46.6
Dipole, Da:	2.64
IP(EA), eV:	-9.11(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-3,5-difluorobenzonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=NC=N1)NCC(CC)(CC)CO

DOS

IR

Vibrations