Geometry & MOs

Info

ID:	135548
PubChem CID:	51890773
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	206.121927
ΔH_f, kcal/mol:	-95.46
Dipole, Da:	5.66
IP(EA), eV:	-9.17(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-fluoroanilino)-2,3-dimethylbutanenitrile

Drug info:

PubChemData

Smile

CCNC(=O)/C=C(\C)/NNC(=O)C1CCCCC1

DOS

IR

Vibrations