Geometry & MOs

Info

ID:	372710
PubChem CID:	131303004
Reduced:	ClN2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	252.028412
ΔH_f, kcal/mol:	-6.33
Dipole, Da:	5.29
IP(EA), eV:	-9.48(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-1-(3-chloropropyl)-2-(difluoromethyl)benzene

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1C(C2CCCCC2)N)Cl

DOS

IR

Vibrations