Geometry & MOs

Info

ID:	292990
PubChem CID:	117368870
Reduced:	SN2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	244.9243
ΔH_f, kcal/mol:	39.17
Dipole, Da:	2.71
IP(EA), eV:	-9.0(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(C=CC=C2S1)C3(CC3)N

DOS

IR

Vibrations