Geometry & MOs

Info

ID:	205533
PubChem CID:	80117841
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	320.039119
ΔH_f, kcal/mol:	-63.16
Dipole, Da:	9.12
IP(EA), eV:	-9.0(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[chloro-[3-(trifluoromethyl)phenyl]methyl]-2,5-difluoro-4-methylbenzene

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)NC(=O)C(CC(C)C)CN)[N+](=O)[O-]

DOS

IR

Vibrations