Geometry & MOs

Info

ID:	373328
PubChem CID:	131313332
Reduced:	BrN4C7H7 (1)
Stoich.:	AB4C7D7 (1)
Weight, g/mol:	279.02588
ΔH_f, kcal/mol:	78.47
Dipole, Da:	7.8
IP(EA), eV:	-10.36(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-methoxyphenyl)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CN2C(=NN=C2C#N)CC1Br

DOS

IR

Vibrations