Geometry & MOs

Info

ID:	374187
PubChem CID:	131325268
Reduced:	BrOF2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	138.115698
ΔH_f, kcal/mol:	-127.41
Dipole, Da:	2.46
IP(EA), eV:	-9.13(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4,4-dimethylcyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Br)OC)C(F)F

DOS

IR

Vibrations