Geometry & MOs

Info

ID:	284309
PubChem CID:	104042101
Reduced:	NC14H25 (1)
Stoich.:	AB14C25 (1)
Weight, g/mol:	222.116841
ΔH_f, kcal/mol:	-2.68
Dipole, Da:	2.49
IP(EA), eV:	-8.7(2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[1-[[(2S)-1-hydroxypropan-2-yl]amino]ethyl]benzonitrile

Drug info:

PubChemData

Smile

CCC(CC#C)NC1CCCC(C1C)C

DOS

IR

Vibrations