Geometry & MOs

Info

ID:	200848
PubChem CID:	79452717
Reduced:	FCl2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	310.069134
ΔH_f, kcal/mol:	-7.84
Dipole, Da:	3.95
IP(EA), eV:	-9.91(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]-3-methylbenzene

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)CC(CCl)(CCl)C2=CC=C(C=C2)F

DOS

IR

Vibrations