Geometry & MOs

Info

ID:	206619
PubChem CID:	80274365
Reduced:	ClNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	302.04817
ΔH_f, kcal/mol:	-101.46
Dipole, Da:	5.39
IP(EA), eV:	-8.9(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bromo-(1-methylcyclopentyl)methyl]-2,5-difluoro-4-methylbenzene

Drug info:

PubChemData

Smile

CC1(CCCC1)C(C(CN)C2=C(C=CC(=C2)Cl)OC)O

DOS

IR

Vibrations