Geometry & MOs

Info

ID:	371762
PubChem CID:	131271560
Reduced:	NC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	313.85317
ΔH_f, kcal/mol:	73.21
Dipole, Da:	5.14
IP(EA), eV:	-8.81(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-(bromomethyl)-2-chloro-5-methoxybenzene

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)N)C2=CC=CC(=C2)CC#N

DOS

IR

Vibrations