Geometry & MOs

Info

ID:	206383
PubChem CID:	80242261
Reduced:	BrNOSH12C13 (1)
Stoich.:	ABCDE12F13 (1)
Weight, g/mol:	236.225249
ΔH_f, kcal/mol:	4.6
Dipole, Da:	2.39
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pentanenitrile

Drug info:

PubChemData

Smile

CC1=CSC=C1CNC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations