Geometry & MOs

Info

ID:	373125
PubChem CID:	131310378
Reduced:	SN2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	299.93643
ΔH_f, kcal/mol:	7.48
Dipole, Da:	3.17
IP(EA), eV:	-8.48(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-(chloromethyl)-4-(difluoromethoxy)-2-methoxybenzene

Drug info:

PubChemData

Smile

CC(CC1=CC=C2N1CCSC2)N

DOS

IR

Vibrations