Geometry & MOs

Info

ID:	372677
PubChem CID:	131302014
Reduced:	BrNSO2C6H6 (1)
Stoich.:	ABCD2E6F6 (1)
Weight, g/mol:	234.99966
ΔH_f, kcal/mol:	-55.87
Dipole, Da:	1.47
IP(EA), eV:	-9.67(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-bromophenyl)cyclopropyl]acetonitrile

Drug info:

PubChemData

Smile

COC(=O)CC1=C(N=CS1)Br

DOS

IR

Vibrations