Geometry & MOs

Info

ID:	278722
PubChem CID:	103837235
Reduced:	BrNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	242.103083
ΔH_f, kcal/mol:	-26.62
Dipole, Da:	6.05
IP(EA), eV:	-8.75(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,5,5-trifluoropentylamino)benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)C2CC2(C)C

DOS

IR

Vibrations