Geometry & MOs

Info

ID:	287816
PubChem CID:	104295330
Reduced:	OF2N2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	359.97281
ΔH_f, kcal/mol:	-146.63
Dipole, Da:	2.86
IP(EA), eV:	-9.25(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromo-4-methoxyphenyl)-chloromethyl]-2,4-difluoro-5-methylbenzene

Drug info:

PubChemData

Smile

CC1CCCCC1(CN)NC(=O)C2=C(C=C(C(=C2)C)F)F

DOS

IR

Vibrations