Geometry & MOs

Info

ID:	373592
PubChem CID:	131317633
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	279.02588
ΔH_f, kcal/mol:	30.03
Dipole, Da:	8.29
IP(EA), eV:	-7.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-bromo-3-methoxy-5-methylphenyl)cyclopropyl]acetonitrile

Drug info:

PubChemData

Smile

CCN1C(=C2C=CC=CC2=O)C=C(N1)CN

DOS

IR

Vibrations