Geometry & MOs

Info

ID:	205548
PubChem CID:	80119691
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	300.028412
ΔH_f, kcal/mol:	-79.64
Dipole, Da:	6.82
IP(EA), eV:	-8.1(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-chloro-2-(2-chlorophenyl)ethyl]-2,5-difluoro-4-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)C(=O)O)N(C)CC2CCN(CC2)C

DOS

IR

Vibrations