Geometry & MOs

Info

ID:	202810
PubChem CID:	79730951
Reduced:	NOC4H8 (2)
Stoich.:	ABC4D8 (2)
Weight, g/mol:	338.04817
ΔH_f, kcal/mol:	-97.34
Dipole, Da:	4.22
IP(EA), eV:	-9.1(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-bromo-2-phenylbutyl)-2,4-difluoro-5-methylbenzene

Drug info:

PubChemData

Smile

C1CNCC1NCCCC(=O)O

DOS

IR

Vibrations