Geometry & MOs

Info

ID:	206179
PubChem CID:	80217979
Reduced:	FNOBr2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	291.267448
ΔH_f, kcal/mol:	-25.01
Dipole, Da:	1.63
IP(EA), eV:	-9.31(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4,4-dimethylcyclohexyl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CCNC(C1=CC=C(O1)Br)C2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations