Geometry & MOs

Info

ID:	294323
PubChem CID:	117453031
Reduced:	BrNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	281.00514
ΔH_f, kcal/mol:	-45.86
Dipole, Da:	3.65
IP(EA), eV:	-9.43(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(cyclopropylmethoxy)-3-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Br)C2(CCC2)N=C=O)O

DOS

IR

Vibrations